A0A3Q0KSE5_SCHMA Loading...

Ral GTPase-activating protein subunit beta

AlphaFold DB , UniProt , Accession A0A3Q0KSE5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 715 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.9Very low67.5Low57 Ų5777.2 Ų77.228%0.28142%0.421SS..  0-42.70-72.2-166.517700112.8E3 Y4 L14 T27 L31 I47M1-E3 PolarHBondContact O-N 3.43Å; M1-Y4 PolarHBondContact O-N 3.14Å; M1-L14 HydrophobicContact CE-CD1 4.04Å; M1-L14 HydrophobicContact CE-CD2 4.39Å; M1-T27 HydrophobicContact CE-CG2 4.15Å; M1-L31 HydrophobicContact CE-CB 4.14Å; M1-L31 HydrophobicContact CE-CD1 4.08Å; M1-L31 HydrophobicContact SD-CD1 3.78Å; M1-I47 HydrophobicContact CB-CD1 4.27Å; M1-I47 HydrophobicContact CG-CD1 4.36Å; M1-I47 HydrophobicContact SD-CD1 3.9Å
2Q48.1Very low68.9Low187 Ų18779 Ų7987%0.87443%0.425SS*.G310 helixtrans-58.9-26.5167.6-77.6179.6-13.500113.7Y4 G5Q2-Y4 PolarHBondContact O-N 2.95Å; Q2-G5 PolarHBondContact O-N 2.92Å
3E51.7Low70Confident180 Ų18077 Ų7784%0.84141%0.413SS*.G310 helixtrans-63.7-22178.1-71.1-179.6155.500114.6M1M1-E3 PolarHBondContact O-N 3.43Å
4Y52.1Low70.9Confident105 Ų10572.2 Ų72.241%0.41239%0.387SS..G310 helixtrans-85.5-15.1-175.6-69.7-69.1000114M1 Q2 D6 L9 A10 I13M1-Y4 PolarHBondContact O-N 3.14Å; Q2-Y4 PolarHBondContact O-N 2.95Å; Y4-D6 PolarHBondContact O-N 3.36Å; Y4-L9 HydrophobicContact CD1-CD2 4.39Å; Y4-A10 HydrophobicContact CD2-CB 4.25Å; Y4-A10 HydrophobicContact CG-CB 4.29Å; Y4-I13 HydrophobicContact CD1-CD1 3.75Å; Y4-I13 HydrophobicContact CE1-CD1 3.39Å
5G60.9Low71.8Confident82 Ų8268.4 Ų68.485%0.84537%0.368SS*.SBendtrans62.2-26.5177.300000116.5Q2Q2-G5 PolarHBondContact O-N 2.92Å
6D78.1Confident72.5Confident82 Ų8274.6 Ų74.644%0.43938%0.384SS..  trans-126.6116.6-176.2-174.9-9.9000108.8Y4 T8 L9 A10Y4-D6 PolarHBondContact O-N 3.36Å; D6-T8 PolarHBondContact O-N 2.85Å; D6-T8 WeakPolarHBondContact OD1-CB 3.5Å; D6-T8 PolarHBondContact OD1-N 3.02Å; D6-T8 PolarHBondContact OD1-OG1 3.34Å; D6-L9 HydrophobicContact CB-CB 4.06Å; D6-L9 PolarHBondContact O-N 2.93Å; D6-A10 PolarHBondContact O-N 3.09Å; D6-A10 VanDerWaalsContact O-N 3.12Å
7A77.7Confident73Confident20 Ų2073.6 Ų73.617%0.16538%0.38CS..Hα-helixtrans-60.7-31.917900000111.9A10 A11 D46 I47A7-A10 PolarHBondContact O-N 3.47Å; A7-A11 WeakPolarHBondContact O-CB 3.09Å; A7-A11 PolarHBondContact O-N 2.92Å; A7-D46 HydrophobicContact CB-CB 3.8Å; A7-I47 HydrophobicContact CB-CG1 3.86Å
8T79.2Confident73.4Confident55 Ų5571.8 Ų71.834%0.33737%0.368SS..Hα-helixtrans-64.8-47.9177.9-340000110.6D6 A10 A11 E12D6-T8 PolarHBondContact O-N 2.85Å; D6-T8 WeakPolarHBondContact OD1-CB 3.5Å; D6-T8 PolarHBondContact OD1-N 3.02Å; D6-T8 PolarHBondContact OD1-OG1 3.34Å; T8-A10 PolarHBondContact O-N 3.22Å; T8-A11 PolarHBondContact O-N 3Å; T8-E12 WeakPolarHBondContact O-CG 3.37Å; T8-E12 PolarHBondContact O-N 2.83Å
9L81.8Confident73.8Confident76 Ų7674.7 Ų74.740%0.39838%0.379SS..Hα-helixtrans-64.2-42.8178.9-176.170.1000111.2Y4 D6 A11 E12 I13Y4-L9 HydrophobicContact CD1-CD2 4.39Å; D6-L9 HydrophobicContact CB-CB 4.06Å; D6-L9 PolarHBondContact O-N 2.93Å; L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 3.09Å; L9-E12 PolarHBondContact O-N 3.35Å; L9-I13 HydrophobicContact CG-CD1 4.19Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.21Å; L9-I13 PolarHBondContact O-N 3.36Å
10A82Confident74.1Confident4 Ų476.3 Ų76.33%0.03339%0.393CS..Hα-helixtrans-60.7-42.8175.300000111.5Y4 D6 A7 T8 I13 L14 I47Y4-A10 HydrophobicContact CD2-CB 4.25Å; Y4-A10 HydrophobicContact CG-CB 4.29Å; D6-A10 PolarHBondContact O-N 3.09Å; D6-A10 VanDerWaalsContact O-N 3.12Å; A7-A10 PolarHBondContact O-N 3.47Å; T8-A10 PolarHBondContact O-N 3.22Å; A10-I13 PolarHBondContact O-N 2.92Å; A10-L14 VanDerWaalsContact O-CG 3.3Å; A10-L14 WeakPolarHBondContact O-CG 3.34Å; A10-L14 PolarHBondContact O-N 2.81Å; A10-I47 HydrophobicContact CB-CD1 3.86Å; A10-I47 HydrophobicContact CB-CG1 3.94Å; A10-I47 HydrophobicContact CB-CG2 4.33Å
11A83.1Confident74.2Confident1 Ų176.1 Ų76.11%0.00839%0.391CS..Hα-helixtrans-64.3-42.6176.900000112.7A7 T8 L9 I13 L14 C15 I47 H50 I51A7-A11 WeakPolarHBondContact O-CB 3.09Å; A7-A11 PolarHBondContact O-N 2.92Å; T8-A11 PolarHBondContact O-N 3Å; L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 3.09Å; A11-I13 VanDerWaalsContact C-N 3.34Å; A11-I13 PolarHBondContact O-N 3.35Å; A11-L14 PolarHBondContact O-N 3.44Å; A11-C15 PolarHBondContact O-N 3.38Å; A11-C15 PolarHBondContact O-SG 3.32Å; A11-I47 HydrophobicContact CB-CG2 4.39Å; A11-H50 HydrophobicContact CB-CB 3.43Å; A11-H50 VanDerWaalsContact CB-CB 3.43Å; A11-I51 HydrophobicContact CB-CG2 3.82Å
12E84.2Confident75.2Confident99 Ų9981.4 Ų81.446%0.46341%0.407SS..Hα-helixtrans-60.1-42.8175.4-77-175.5-176.100112.1T8 L9 C15 R16T8-E12 WeakPolarHBondContact O-CG 3.37Å; T8-E12 PolarHBondContact O-N 2.83Å; L9-E12 PolarHBondContact O-N 3.35Å; E12-C15 PolarHBondContact O-N 2.93Å; E12-R16 WeakPolarHBondContact O-CG 3.5Å; E12-R16 PolarHBondContact O-N 2.99Å
13I83.5Confident76.5Confident53 Ų5378 Ų7827%0.27239%0.392SS..Hα-helixtrans-62.7-45.4176.8-67.9166.9000110.2Y4 L9 A10 A11 C15 R16 L17Y4-I13 HydrophobicContact CD1-CD1 3.75Å; Y4-I13 HydrophobicContact CE1-CD1 3.39Å; L9-I13 HydrophobicContact CG-CD1 4.19Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.21Å; L9-I13 PolarHBondContact O-N 3.36Å; A10-I13 PolarHBondContact O-N 2.92Å; A11-I13 VanDerWaalsContact C-N 3.34Å; A11-I13 PolarHBondContact O-N 3.35Å; I13-C15 VanDerWaalsContact C-N 3.33Å; I13-C15 PolarHBondContact O-N 3.19Å; I13-R16 PolarHBondContact O-N 3Å; I13-L17 HydrophobicContact CG2-CD1 4.03Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CG 3.45Å; I13-L17 PolarHBondContact O-N 3.25Å
14L82.9Confident77.6Confident10 Ų1070.8 Ų70.85%0.05236%0.358CS..Hα-helixtrans-62.8-39177.9-67.5171.5000112M1 A10 A11 Y18 Q28 L31 I47 I51 L55M1-L14 HydrophobicContact CE-CD1 4.04Å; M1-L14 HydrophobicContact CE-CD2 4.39Å; A10-L14 VanDerWaalsContact O-CG 3.3Å; A10-L14 WeakPolarHBondContact O-CG 3.34Å; A10-L14 PolarHBondContact O-N 2.81Å; A11-L14 PolarHBondContact O-N 3.44Å; L14-Y18 PolarHBondContact O-N 2.93Å; L14-Y18 VanDerWaalsContact O-N 3.1Å; L14-Q28 HydrophobicContact CB-CG 4.46Å; L14-Q28 HydrophobicContact CD2-CG 3.68Å; L14-Q28 PolarHBondContact O-NE2 3.43Å; L14-L31 HydrophobicContact CD1-CD2 3.97Å; L14-I47 HydrophobicContact CD1-CG2 3.61Å; L14-I51 HydrophobicContact CB-CG2 4.33Å; L14-I51 HydrophobicContact CD1-CG2 4.35Å; L14-L55 HydrophobicContact CB-CD2 4.34Å
15C83.3Confident78.9Confident15 Ų1568.2 Ų68.210%0.10135%0.352CS..Hα-helixtrans-64.4-46.2175.6-65.80000111.8A11 E12 I13 L17 Y18 E19 I51 N52A11-C15 PolarHBondContact O-N 3.38Å; A11-C15 PolarHBondContact O-SG 3.32Å; E12-C15 PolarHBondContact O-N 2.93Å; I13-C15 VanDerWaalsContact C-N 3.33Å; I13-C15 PolarHBondContact O-N 3.19Å; C15-L17 VanDerWaalsContact C-N 3.33Å; C15-L17 PolarHBondContact O-N 2.89Å; C15-Y18 WeakPolarHBondContact O-CB 3.45Å; C15-Y18 PolarHBondContact O-N 3.38Å; C15-E19 WeakPolarHBondContact O-CG 3.35Å; C15-E19 PolarHBondContact O-N 3.27Å; C15-I51 VanDerWaalsContact SG-CA 3.59Å; C15-N52 PolarHBondContact SG-N 3.31Å
16R83.4Confident79.5Confident167 Ų16770 Ų7063%0.6334%0.34SS*.Hα-helixtrans-61.7-41.9177.9-74.3-178.1-176178.37112E12 I13 Y18 E19 T20E12-R16 WeakPolarHBondContact O-CG 3.5Å; E12-R16 PolarHBondContact O-N 2.99Å; I13-R16 PolarHBondContact O-N 3Å; R16-Y18 VanDerWaalsContact C-N 3.33Å; R16-Y18 PolarHBondContact O-N 2.7Å; R16-E19 PolarHBondContact O-N 3.28Å; R16-T20 WeakPolarHBondContact O-CG2 3.38Å; R16-T20 PolarHBondContact O-N 3.46Å; R16-T20 PolarHBondContact O-OG1 3.17Å
17L81Confident79.3Confident58 Ų5869.3 Ų69.330%0.30434%0.339SS..Hα-helixtrans-58.7-47.3175.8-74.1170.7000110.7I13 C15 E19 T20 Q21I13-L17 HydrophobicContact CG2-CD1 4.03Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CG 3.45Å; I13-L17 PolarHBondContact O-N 3.25Å; C15-L17 VanDerWaalsContact C-N 3.33Å; C15-L17 PolarHBondContact O-N 2.89Å; L17-E19 PolarHBondContact O-N 2.77Å; L17-T20 PolarHBondContact O-N 3.44Å; L17-T20 PolarHBondContact O-OG1 3.09Å; L17-Q21 WeakPolarHBondContact O-CB 3.38Å; L17-Q21 PolarHBondContact O-N 3.2Å
18Y80.8Confident79.3Confident41 Ų4168.5 Ų68.516%0.16133%0.331CS..Hα-helixtrans-59.2-47.5177.3-173.5-121.4000112.9L14 C15 R16 T20 Q21 R22 L24 L55 D58L14-Y18 PolarHBondContact O-N 2.93Å; L14-Y18 VanDerWaalsContact O-N 3.1Å; C15-Y18 WeakPolarHBondContact O-CB 3.45Å; C15-Y18 PolarHBondContact O-N 3.38Å; R16-Y18 VanDerWaalsContact C-N 3.33Å; R16-Y18 PolarHBondContact O-N 2.7Å; Y18-T20 VanDerWaalsContact C-N 3.29Å; Y18-T20 PolarHBondContact O-N 2.72Å; Y18-Q21 PolarHBondContact O-N 2.82Å; Y18-R22 WeakPolarHBondContact O-CA 3.34Å; Y18-R22 PolarHBondContact O-N 3.42Å; Y18-L24 HydrophobicContact CD2-CD2 3.95Å; Y18-L24 HydrophobicContact CE2-CD2 3.88Å; Y18-L24 HydrophobicContact CE2-CG 4.16Å; Y18-L55 HydrophobicContact CD1-CB 3.98Å; Y18-L55 HydrophobicContact CD1-CD1 4.03Å; Y18-L55 HydrophobicContact CD1-CG 4.45Å; Y18-L55 HydrophobicContact CD2-CD1 3.79Å; Y18-L55 HydrophobicContact CE1-CB 4.37Å; Y18-L55 HydrophobicContact CE1-CD1 4.47Å; Y18-L55 HydrophobicContact CE2-CD1 4.28Å; Y18-L55 HydrophobicContact CG-CB 4.42Å; Y18-L55 HydrophobicContact CG-CD1 3.67Å; Y18-L55 HydrophobicContact CG-CD2 4.46Å; Y18-L55 HydrophobicContact CG-CG 4.39Å; Y18-D58 VanDerWaalsContact OH-CG 3.3Å; Y18-D58 PolarHBondContact OH-OD2 3.12Å
19E80.6Confident79.2Confident127 Ų12766.6 Ų66.659%0.59332%0.319SS*.Hα-helixtrans-62.8-35.3179.3-72.4171.1-172.600112.6C15 R16 L17C15-E19 WeakPolarHBondContact O-CG 3.35Å; C15-E19 PolarHBondContact O-N 3.27Å; R16-E19 PolarHBondContact O-N 3.28Å; L17-E19 PolarHBondContact O-N 2.77Å
20T79.7Confident79.2Confident107 Ų10767.8 Ų67.866%0.65632%0.322SS*.Hα-helixtrans-78.7-33.4179.4550000114.1R16 L17 Y18R16-T20 WeakPolarHBondContact O-CG2 3.38Å; R16-T20 PolarHBondContact O-N 3.46Å; R16-T20 PolarHBondContact O-OG1 3.17Å; L17-T20 PolarHBondContact O-N 3.44Å; L17-T20 PolarHBondContact O-OG1 3.09Å; Y18-T20 VanDerWaalsContact C-N 3.29Å; Y18-T20 PolarHBondContact O-N 2.72Å
21Q76.3Confident79.1Confident73 Ų7367.6 Ų67.634%0.34132%0.321SS..Hα-helixtrans-95.6-24.3-173.1-71.6178.8-9.300112.7L17 Y18 H23L17-Q21 WeakPolarHBondContact O-CB 3.38Å; L17-Q21 PolarHBondContact O-N 3.2Å; Y18-Q21 PolarHBondContact O-N 2.82Å; Q21-H23 PolarHBondContact O-CE1 3.02Å; Q21-H23 PolarHBondContact O-N 3.35Å; Q21-H23 PolarHBondContact O-ND1 2.93Å
22R69Low78.9Confident167 Ų16767.8 Ų67.863%0.6332%0.322SS*.SBendtrans55.44.1-169-64.3-176.5173.7-166.2-11.7114.9Y18 E146 E147Y18-R22 WeakPolarHBondContact O-CA 3.34Å; Y18-R22 PolarHBondContact O-N 3.42Å; R22-E146 IonicContact NH1-OE1 3.5Å; R22-E146 PolarHBondContact NH1-OE1 3.05Å; R22-E147 IonicContact NH1-OE2 2.86Å
23H75Confident78.7Confident117 Ų11763.5 Ų63.554%0.54230%0.304SS..SBendtrans-127.6154.4172.758.3-85.3000110.4Q21Q21-H23 PolarHBondContact O-CE1 3.02Å; Q21-H23 PolarHBondContact O-N 3.35Å; Q21-H23 PolarHBondContact O-ND1 2.93Å
24L75.9Confident78.5Confident27 Ų2765.2 Ų65.214%0.14131%0.31CS..  trans-76.8126.7179.1-69.4165.6000110.5Y18 Q28 I29 L55 L59 F62Y18-L24 HydrophobicContact CD2-CD2 3.95Å; Y18-L24 HydrophobicContact CE2-CD2 3.88Å; Y18-L24 HydrophobicContact CE2-CG 4.16Å; L24-Q28 VanDerWaalsContact CA-OE1 3.3Å; L24-I29 HydrophobicContact CB-CD1 4.32Å; L24-I29 HydrophobicContact CB-CG1 4.27Å; L24-L55 HydrophobicContact CD2-CD1 3.39Å; L24-L59 HydrophobicContact CD2-CB 4.39Å; L24-L59 HydrophobicContact CD2-CD1 4.19Å; L24-F62 HydrophobicContact CD1-CB 3.39Å; L24-F62 HydrophobicContact CD1-CD1 3.95Å; L24-F62 HydrophobicContact CD1-CD2 4.17Å; L24-F62 HydrophobicContact CD1-CG 3.59Å
25D78.1Confident78.2Confident52 Ų5265 Ų6528%0.27831%0.308SS..  trans-80.3153.8172.217934.4000111.2T27 Q28 I29D25-T27 PolarHBondContact O-N 2.92Å; D25-T27 VanDerWaalsContact OD2-CB 3.25Å; D25-T27 WeakPolarHBondContact OD2-CB 3.49Å; D25-T27 PolarHBondContact OD2-N 3.46Å; D25-T27 PolarHBondContact OD2-OG1 3.31Å; D25-Q28 WeakPolarHBondContact O-CB 3.2Å; D25-Q28 PolarHBondContact O-N 3.46Å; D25-I29 WeakPolarHBondContact O-CD1 3.4Å; D25-I29 WeakPolarHBondContact O-CG1 3.32Å; D25-I29 PolarHBondContact O-N 2.69Å; D25-I29 VanDerWaalsContact O-N 3.08Å
26M75.2Confident77.9Confident119 Ų11964.9 Ų64.959%0.58631%0.307SS*.Hα-helixtrans-53.7-36174.4-73.7-60-60.900112.2Q28 I29 E30M26-Q28 VanDerWaalsContact C-N 3.3Å; M26-Q28 PolarHBondContact O-N 2.87Å; M26-I29 PolarHBondContact O-N 3.47Å; M26-I29 HydrophobicContact SD-CD1 4.09Å; M26-E30 WeakPolarHBondContact O-CB 3.46Å; M26-E30 WeakPolarHBondContact O-CG 3.16Å; M26-E30 PolarHBondContact O-N 3.46Å
27T73.7Confident77.8Confident68 Ų6865.6 Ų65.642%0.41732%0.315SS..Hα-helixtrans-62.9-37177.3-44.10000112.3M1 D25 L31M1-T27 HydrophobicContact CE-CG2 4.15Å; D25-T27 PolarHBondContact O-N 2.92Å; D25-T27 VanDerWaalsContact OD2-CB 3.25Å; D25-T27 WeakPolarHBondContact OD2-CB 3.49Å; D25-T27 PolarHBondContact OD2-N 3.46Å; D25-T27 PolarHBondContact OD2-OG1 3.31Å; T27-L31 PolarHBondContact O-N 2.9Å
28Q77.7Confident77.5Confident2 Ų266.4 Ų66.41%0.00932%0.32CS..Hα-helixtrans-70.6-46.6175.9-67.5163.3-20.600109.8L14 L24 D25 M26 E30 L31 L59L14-Q28 HydrophobicContact CB-CG 4.46Å; L14-Q28 HydrophobicContact CD2-CG 3.68Å; L14-Q28 PolarHBondContact O-NE2 3.43Å; L24-Q28 VanDerWaalsContact CA-OE1 3.3Å; D25-Q28 WeakPolarHBondContact O-CB 3.2Å; D25-Q28 PolarHBondContact O-N 3.46Å; M26-Q28 VanDerWaalsContact C-N 3.3Å; M26-Q28 PolarHBondContact O-N 2.87Å; Q28-E30 VanDerWaalsContact C-N 3.29Å; Q28-E30 PolarHBondContact O-N 2.78Å; Q28-L31 WeakPolarHBondContact O-CB 3.37Å; Q28-L31 PolarHBondContact O-N 2.74Å; Q28-L59 VanDerWaalsContact C-CD1 3.43Å; Q28-L59 HydrophobicContact CB-CD1 4.08Å; Q28-L59 VanDerWaalsContact O-CD1 3.27Å; Q28-L59 WeakPolarHBondContact O-CD1 3.45Å
29I76.4Confident76.8Confident15 Ų1565.6 Ų65.68%0.07732%0.319CS..Hα-helixtrans-59.2-40.6178.3-60.4154.1000111.4L24 D25 M26 L31 L32 G33 L59 F62 Y63L24-I29 HydrophobicContact CB-CD1 4.32Å; L24-I29 HydrophobicContact CB-CG1 4.27Å; D25-I29 WeakPolarHBondContact O-CD1 3.4Å; D25-I29 WeakPolarHBondContact O-CG1 3.32Å; D25-I29 PolarHBondContact O-N 2.69Å; D25-I29 VanDerWaalsContact O-N 3.08Å; M26-I29 PolarHBondContact O-N 3.47Å; M26-I29 HydrophobicContact SD-CD1 4.09Å; I29-L31 VanDerWaalsContact C-N 3.27Å; I29-L31 PolarHBondContact O-N 3.32Å; I29-L32 PolarHBondContact O-N 2.94Å; I29-G33 PolarHBondContact O-N 3.27Å; I29-L59 HydrophobicContact CG1-CD1 4.33Å; I29-F62 HydrophobicContact CD1-CD1 3.93Å; I29-F62 HydrophobicContact CD1-CE1 3.29Å; I29-F62 HydrophobicContact CD1-CZ 4.15Å; I29-F62 HydrophobicContact CG1-CD1 3.82Å; I29-F62 HydrophobicContact CG1-CE1 3.72Å; I29-Y63 HydrophobicContact CG2-CD2 4.18Å
30E81.6Confident76.2Confident101 Ų10165.1 Ų65.147%0.47233%0.325SS..Hα-helixtrans-63.3-29175.7-82.2-168.1-175.700113.5M26 Q28 G33 K34M26-E30 WeakPolarHBondContact O-CB 3.46Å; M26-E30 WeakPolarHBondContact O-CG 3.16Å; M26-E30 PolarHBondContact O-N 3.46Å; Q28-E30 VanDerWaalsContact C-N 3.29Å; Q28-E30 PolarHBondContact O-N 2.78Å; E30-G33 PolarHBondContact O-N 3.25Å; E30-K34 WeakPolarHBondContact O-CB 3.25Å; E30-K34 VanDerWaalsContact O-CG 3.32Å; E30-K34 WeakPolarHBondContact O-CG 3.05Å; E30-K34 PolarHBondContact O-N 3.2Å; E30-K34 IonicContact OE2-NZ 2.66Å
31L80.1Confident75.9Confident1 Ų162.4 Ų62.41%0.00531%0.307CS..Hα-helixtrans-58.9-54176.3179.465.2000110.3M1 L14 T27 Q28 I29 G33 K34 I35 C44 I47 F48M1-L31 HydrophobicContact CE-CB 4.14Å; M1-L31 HydrophobicContact CE-CD1 4.08Å; M1-L31 HydrophobicContact SD-CD1 3.78Å; L14-L31 HydrophobicContact CD1-CD2 3.97Å; T27-L31 PolarHBondContact O-N 2.9Å; Q28-L31 WeakPolarHBondContact O-CB 3.37Å; Q28-L31 PolarHBondContact O-N 2.74Å; I29-L31 VanDerWaalsContact C-N 3.27Å; I29-L31 PolarHBondContact O-N 3.32Å; L31-G33 VanDerWaalsContact C-N 3.33Å; L31-G33 PolarHBondContact O-N 3Å; L31-K34 PolarHBondContact O-N 3.42Å; L31-I35 HydrophobicContact CG-CD1 4.34Å; L31-I35 WeakPolarHBondContact O-CG1 3.33Å; L31-I35 PolarHBondContact O-N 3.05Å; L31-I35 VanDerWaalsContact O-N 3.08Å; L31-C44 HydrophobicContact CD1-CB 3.82Å; L31-I47 HydrophobicContact CD1-CB 4.14Å; L31-I47 HydrophobicContact CD1-CG2 4.1Å; L31-I47 HydrophobicContact CD2-CB 4.47Å; L31-I47 HydrophobicContact CD2-CG2 3.8Å; L31-F48 HydrophobicContact CD2-CB 4.16Å; L31-F48 HydrophobicContact CD2-CD2 4.39Å
32L78.9Confident75.8Confident5 Ų566.1 Ų66.13%0.02632%0.322CS..Hα-helixtrans-68-37179.1-172.558.6000111.2I29 K34 I35 V36 F48 L59 Y63 F64I29-L32 PolarHBondContact O-N 2.94Å; L32-K34 VanDerWaalsContact C-N 3.26Å; L32-K34 PolarHBondContact O-N 3.03Å; L32-I35 PolarHBondContact O-N 3.39Å; L32-V36 HydrophobicContact CD1-CG2 4.49Å; L32-V36 WeakPolarHBondContact O-CG2 3.41Å; L32-V36 PolarHBondContact O-N 3.39Å; L32-F48 HydrophobicContact CD1-CE2 4.41Å; L32-L59 HydrophobicContact CB-CD2 3.94Å; L32-L59 HydrophobicContact CB-CG 4.04Å; L32-L59 HydrophobicContact CD2-CG 4.21Å; L32-Y63 HydrophobicContact CB-CG 4.38Å; L32-Y63 HydrophobicContact CD2-CD1 3.94Å; L32-Y63 HydrophobicContact CD2-CG 3.83Å; L32-Y63 HydrophobicContact CG-CD1 4.05Å; L32-Y63 HydrophobicContact CG-CG 4.05Å; L32-F64 HydrophobicContact CD2-CE2 4.41Å
33G79.7Confident76.2Confident9 Ų961.4 Ų61.49%0.09331%0.311CS..Hα-helixtrans-59.9-33.2173.100000114.1I29 E30 L31 K37I29-G33 PolarHBondContact O-N 3.27Å; E30-G33 PolarHBondContact O-N 3.25Å; L31-G33 VanDerWaalsContact C-N 3.33Å; L31-G33 PolarHBondContact O-N 3Å; G33-K37 WeakPolarHBondContact O-CB 3.32Å; G33-K37 VanDerWaalsContact O-CG 3.23Å; G33-K37 WeakPolarHBondContact O-CG 3.37Å; G33-K37 PolarHBondContact O-N 2.96Å
34K80.4Confident76.3Confident89 Ų8956 Ų5639%0.38729%0.287SS..Hα-helixtrans-73.5-44.1173.7-78.1173.5-175.2165.50111.7E30 L31 L32 V36 K37 D38E30-K34 WeakPolarHBondContact O-CB 3.25Å; E30-K34 VanDerWaalsContact O-CG 3.32Å; E30-K34 WeakPolarHBondContact O-CG 3.05Å; E30-K34 PolarHBondContact O-N 3.2Å; E30-K34 IonicContact OE2-NZ 2.66Å; L31-K34 PolarHBondContact O-N 3.42Å; L32-K34 VanDerWaalsContact C-N 3.26Å; L32-K34 PolarHBondContact O-N 3.03Å; K34-V36 VanDerWaalsContact C-N 3.28Å; K34-V36 PolarHBondContact O-N 3.13Å; K34-K37 PolarHBondContact O-N 3.18Å; K34-K37 VanDerWaalsContact O-N 3.15Å; K34-D38 CarbonylContact O-C 3.59Å; K34-D38 PolarHBondContact O-N 3.32Å
35I76.5Confident76.3Confident4 Ų455 Ų552%0.02128%0.282CS..Hα-helixtrans-58.9-41.8176.6-64.8167.4000111.1L31 L32 D38 P39 C44 F48 L80L31-I35 HydrophobicContact CG-CD1 4.34Å; L31-I35 WeakPolarHBondContact O-CG1 3.33Å; L31-I35 PolarHBondContact O-N 3.05Å; L31-I35 VanDerWaalsContact O-N 3.08Å; L32-I35 PolarHBondContact O-N 3.39Å; I35-D38 CarbonylContact O-C 3.4Å; I35-P39 VanDerWaalsContact O-CA 3.27Å; I35-P39 WeakPolarHBondContact O-CA 3.4Å; I35-P39 WeakPolarHBondContact O-CB 3.43Å; I35-C44 HydrophobicContact CD1-CB 4.32Å; I35-C44 HydrophobicContact CG1-CB 3.67Å; I35-F48 HydrophobicContact CD1-CB 3.56Å; I35-F48 HydrophobicContact CD1-CD2 4.36Å; I35-F48 HydrophobicContact CD1-CG 3.94Å; I35-L80 HydrophobicContact CG2-CD2 4.12Å
36V77Confident76.3Confident14 Ų1456.3 Ų56.39%0.08529%0.289CS..Hα-helixtrans-67.8-36.6178.2172.40000111.9L32 K34 Y63 F64 N76 L80L32-V36 HydrophobicContact CD1-CG2 4.49Å; L32-V36 WeakPolarHBondContact O-CG2 3.41Å; L32-V36 PolarHBondContact O-N 3.39Å; K34-V36 VanDerWaalsContact C-N 3.28Å; K34-V36 PolarHBondContact O-N 3.13Å; V36-Y63 HydrophobicContact CB-CE1 4.27Å; V36-Y63 HydrophobicContact CG1-CE1 4.4Å; V36-Y63 HydrophobicContact CG2-CE1 3.78Å; V36-F64 HydrophobicContact CG2-CZ 4.12Å; V36-N76 HydrophobicContact CG1-CB 4.32Å; V36-L80 HydrophobicContact CG2-CD1 3.83Å; V36-L80 HydrophobicContact CG2-CD2 4.07Å; V36-L80 HydrophobicContact CG2-CG 4.17Å
37K79.5Confident76.4Confident182 Ų18250.7 Ų50.779%0.79126%0.261SS*.Hα-helixtrans-78.8-39.3179.6-75.2175.4-178.1177.70113.3G33 K34G33-K37 WeakPolarHBondContact O-CB 3.32Å; G33-K37 VanDerWaalsContact O-CG 3.23Å; G33-K37 WeakPolarHBondContact O-CG 3.37Å; G33-K37 PolarHBondContact O-N 2.96Å; K34-K37 PolarHBondContact O-N 3.18Å; K34-K37 VanDerWaalsContact O-N 3.15Å
38D76.6Confident76.8Confident75 Ų7547.8 Ų47.840%0.40124%0.243SC..  trans-13890.1178.5-175.71.9000109.9K34 I35 T40 D41K34-D38 CarbonylContact O-C 3.59Å; K34-D38 PolarHBondContact O-N 3.32Å; I35-D38 CarbonylContact O-C 3.4Å; D38-T40 PolarHBondContact O-N 3.39Å; D38-T40 PolarHBondContact OD1-N 2.86Å; D38-T40 PolarHBondContact OD1-OG1 3.18Å; D38-D41 WeakPolarHBondContact O-CB 3.27Å; D38-D41 PolarHBondContact O-N 2.96Å
39P65.8Low76.7Confident23 Ų2349.3 Ų49.315%0.14925%0.254CS..THydrogen-bonded Turntrans-77.4-4.4-1802.211.3000113.6I35 F79 L83I35-P39 VanDerWaalsContact O-CA 3.27Å; I35-P39 WeakPolarHBondContact O-CA 3.4Å; I35-P39 WeakPolarHBondContact O-CB 3.43Å; P39-F79 HydrophobicContact CG-CD1 4.49Å; P39-F79 HydrophobicContact CG-CE1 3.34Å; P39-F79 HydrophobicContact CG-CZ 3.61Å; P39-L83 HydrophobicContact CB-CD1 3.23Å; P39-L83 HydrophobicContact CB-CD2 3.9Å; P39-L83 HydrophobicContact CB-CG 4.2Å; P39-L83 HydrophobicContact CG-CD1 3.87Å; P39-L83 HydrophobicContact CG-CD2 4.26Å
40T67.9Low76.9Confident117 Ų11753.3 Ų53.372%0.71827%0.272SS*.THydrogen-bonded Turntrans-83-7.1173.767.60000112.3D38 K42D38-T40 PolarHBondContact O-N 3.39Å; D38-T40 PolarHBondContact OD1-N 2.86Å; D38-T40 PolarHBondContact OD1-OG1 3.18Å; T40-K42 VanDerWaalsContact C-N 3.28Å; T40-K42 PolarHBondContact O-N 3Å
41D73.6Confident76.9Confident50 Ų5048.9 Ų48.927%0.26725%0.251SS..  trans-70.185.1172.1-170.1-12.5000110.8D38 V43 C44 C45D38-D41 WeakPolarHBondContact O-CB 3.27Å; D38-D41 PolarHBondContact O-N 2.96Å; D41-V43 PolarHBondContact O-N 3.17Å; D41-V43 VanDerWaalsContact O-N 3.16Å; D41-V43 WeakPolarHBondContact OD1-CB 3.49Å; D41-V43 PolarHBondContact OD1-N 3.1Å; D41-C44 HydrophobicContact CB-CB 4.29Å; D41-C44 PolarHBondContact O-N 3.09Å; D41-C44 PolarHBondContact OD1-N 3.46Å; D41-C44 PolarHBondContact OD2-SG 2.84Å; D41-C45 PolarHBondContact O-N 3.34Å; D41-C45 VanDerWaalsContact O-N 3.09Å
42K73.1Confident77Confident152 Ų15250.6 Ų50.666%0.66126%0.26SS*.Hα-helixtrans-52.9-33.9175.2-68.9-172.7177.4-174.10112.3T40 C45 D46T40-K42 VanDerWaalsContact C-N 3.28Å; T40-K42 PolarHBondContact O-N 3Å; K42-C45 PolarHBondContact O-N 3.22Å; K42-D46 WeakPolarHBondContact O-CB 3.49Å; K42-D46 PolarHBondContact O-N 3.19Å
43V78.2Confident76.9Confident68 Ų6853.3 Ų53.341%0.41228%0.279SS..Hα-helixtrans-67.7-46.3-178-178.70000110.2D41 D46 I47D41-V43 PolarHBondContact O-N 3.17Å; D41-V43 VanDerWaalsContact O-N 3.16Å; D41-V43 WeakPolarHBondContact OD1-CB 3.49Å; D41-V43 PolarHBondContact OD1-N 3.1Å; V43-D46 PolarHBondContact O-N 3.44Å; V43-I47 HydrophobicContact CG1-CD1 3.97Å; V43-I47 VanDerWaalsContact O-CG1 3.23Å; V43-I47 WeakPolarHBondContact O-CG1 3.18Å; V43-I47 PolarHBondContact O-N 3.42Å
44C77.6Confident76.9Confident3 Ų356.2 Ų56.22%0.0230%0.297CS..Hα-helixtrans-65.3-41.2176.9-71.80000111.8L31 I35 D41 I47 F48L31-C44 HydrophobicContact CD1-CB 3.82Å; I35-C44 HydrophobicContact CD1-CB 4.32Å; I35-C44 HydrophobicContact CG1-CB 3.67Å; D41-C44 HydrophobicContact CB-CB 4.29Å; D41-C44 PolarHBondContact O-N 3.09Å; D41-C44 PolarHBondContact OD1-N 3.46Å; D41-C44 PolarHBondContact OD2-SG 2.84Å; C44-I47 PolarHBondContact O-N 3.46Å; C44-F48 WeakPolarHBondContact O-CB 3.43Å; C44-F48 PolarHBondContact O-N 3.09Å
45C75.6Confident76.9Confident7 Ų752 Ų525%0.04728%0.279CS..Hα-helixtrans-61.5-42.4174.8-680000112.3D41 K42 F48 S49 Y89D41-C45 PolarHBondContact O-N 3.34Å; D41-C45 VanDerWaalsContact O-N 3.09Å; K42-C45 PolarHBondContact O-N 3.22Å; C45-F48 PolarHBondContact O-N 3.46Å; C45-S49 PolarHBondContact O-N 3.11Å; C45-Y89 PolarHBondContact O-OH 3.42Å
46D76.3Confident77.1Confident78 Ų7852.2 Ų52.242%0.41728%0.28SS..Hα-helixtrans-67.6-37.1177.1-71.9-19.2000111.5A7 K42 V43 S49 H50A7-D46 HydrophobicContact CB-CB 3.8Å; K42-D46 WeakPolarHBondContact O-CB 3.49Å; K42-D46 PolarHBondContact O-N 3.19Å; V43-D46 PolarHBondContact O-N 3.44Å; D46-S49 PolarHBondContact O-N 2.92Å; D46-S49 PolarHBondContact O-OG 3.5Å; D46-H50 PolarHBondContact O-N 3.49Å; D46-H50 PolarHBondContact O-ND1 2.97Å
47I78.8Confident77.3Confident1 Ų156.5 Ų56.51%0.00530%0.297CS..Hα-helixtrans-65.5-48.1173.7-67.6167.1000109.6M1 A7 A10 A11 L14 L31 V43 C44 S49 H50 I51M1-I47 HydrophobicContact CB-CD1 4.27Å; M1-I47 HydrophobicContact CG-CD1 4.36Å; M1-I47 HydrophobicContact SD-CD1 3.9Å; A7-I47 HydrophobicContact CB-CG1 3.86Å; A10-I47 HydrophobicContact CB-CD1 3.86Å; A10-I47 HydrophobicContact CB-CG1 3.94Å; A10-I47 HydrophobicContact CB-CG2 4.33Å; A11-I47 HydrophobicContact CB-CG2 4.39Å; L14-I47 HydrophobicContact CD1-CG2 3.61Å; L31-I47 HydrophobicContact CD1-CB 4.14Å; L31-I47 HydrophobicContact CD1-CG2 4.1Å; L31-I47 HydrophobicContact CD2-CB 4.47Å; L31-I47 HydrophobicContact CD2-CG2 3.8Å; V43-I47 HydrophobicContact CG1-CD1 3.97Å; V43-I47 VanDerWaalsContact O-CG1 3.23Å; V43-I47 WeakPolarHBondContact O-CG1 3.18Å; V43-I47 PolarHBondContact O-N 3.42Å; C44-I47 PolarHBondContact O-N 3.46Å; I47-S49 PolarHBondContact O-N 3.15Å; I47-H50 PolarHBondContact O-N 3.41Å; I47-H50 VanDerWaalsContact O-N 3.14Å; I47-I51 WeakPolarHBondContact O-CG2 3.2Å; I47-I51 PolarHBondContact O-N 2.91Å
48F80.7Confident77.4Confident8 Ų850 Ų504%0.03527%0.272CS..Hα-helixtrans-60.7-33.8-179.7-177.1-97.6000112.2L31 L32 I35 C44 C45 H50 I51 Q56 L59 Y89 V92L31-F48 HydrophobicContact CD2-CB 4.16Å; L31-F48 HydrophobicContact CD2-CD2 4.39Å; L32-F48 HydrophobicContact CD1-CE2 4.41Å; I35-F48 HydrophobicContact CD1-CB 3.56Å; I35-F48 HydrophobicContact CD1-CD2 4.36Å; I35-F48 HydrophobicContact CD1-CG 3.94Å; C44-F48 WeakPolarHBondContact O-CB 3.43Å; C44-F48 PolarHBondContact O-N 3.09Å; C45-F48 PolarHBondContact O-N 3.46Å; F48-H50 VanDerWaalsContact C-N 3.32Å; F48-H50 PolarHBondContact O-N 2.72Å; F48-I51 HydrophobicContact CD2-CD1 3.6Å; F48-I51 HydrophobicContact CE2-CD1 3.97Å; F48-I51 HydrophobicContact CG-CD1 4.31Å; F48-I51 WeakPolarHBondContact O-CG1 3.42Å; F48-Q56 HydrophobicContact CE1-CG 4.33Å; F48-Q56 HydrophobicContact CE2-CB 4.26Å; F48-Q56 HydrophobicContact CE2-CG 4.21Å; F48-Q56 HydrophobicContact CZ-CB 3.96Å; F48-Q56 HydrophobicContact CZ-CG 4.04Å; F48-Q56 PolarHBondContact O-NE2 3.32Å; F48-L59 HydrophobicContact CD2-CD2 4.06Å; F48-L59 HydrophobicContact CE2-CD2 3.95Å; F48-Y89 HydrophobicContact CD1-CD2 4.2Å; F48-Y89 HydrophobicContact CD1-CE2 4.12Å; F48-Y89 HydrophobicContact CE1-CD2 4.17Å; F48-V92 HydrophobicContact CE1-CG2 4.34Å; F48-V92 HydrophobicContact CZ-CG1 4.46Å; F48-V92 HydrophobicContact CZ-CG2 4.3Å
49S77Confident77.7Confident34 Ų3446.5 Ų46.524%0.23825%0.253CS..Hα-helixtrans-65.7-32176.8710000114.7C45 D46 I47 Q56 Y89C45-S49 PolarHBondContact O-N 3.11Å; D46-S49 PolarHBondContact O-N 2.92Å; D46-S49 PolarHBondContact O-OG 3.5Å; I47-S49 PolarHBondContact O-N 3.15Å; S49-Q56 PolarHBondContact O-NE2 2.96Å; S49-Y89 VanDerWaalsContact CA-CE1 3.48Å; S49-Y89 WeakPolarHBondContact CB-OH 3.37Å
50H80.2Confident78.5Confident99 Ų9945.5 Ų45.546%0.45825%0.246SC..Hα-helixtrans-92-9.8-175.6-70.783000113.1A11 D46 I47 F48A11-H50 HydrophobicContact CB-CB 3.43Å; A11-H50 VanDerWaalsContact CB-CB 3.43Å; D46-H50 PolarHBondContact O-N 3.49Å; D46-H50 PolarHBondContact O-ND1 2.97Å; I47-H50 PolarHBondContact O-N 3.41Å; I47-H50 VanDerWaalsContact O-N 3.14Å; F48-H50 VanDerWaalsContact C-N 3.32Å; F48-H50 PolarHBondContact O-N 2.72Å
51I82Confident79.3Confident7 Ų742.1 Ų42.14%0.03622%0.224CC..SBendtrans-72156.1174.276.8-160.7000111.1A11 L14 C15 I47 F48 L55 Q56 L59A11-I51 HydrophobicContact CB-CG2 3.82Å; L14-I51 HydrophobicContact CB-CG2 4.33Å; L14-I51 HydrophobicContact CD1-CG2 4.35Å; C15-I51 VanDerWaalsContact SG-CA 3.59Å; I47-I51 WeakPolarHBondContact O-CG2 3.2Å; I47-I51 PolarHBondContact O-N 2.91Å; F48-I51 HydrophobicContact CD2-CD1 3.6Å; F48-I51 HydrophobicContact CE2-CD1 3.97Å; F48-I51 HydrophobicContact CG-CD1 4.31Å; F48-I51 WeakPolarHBondContact O-CG1 3.42Å; I51-L55 HydrophobicContact CB-CD2 4.1Å; I51-L55 HydrophobicContact CD1-CD2 4.36Å; I51-L55 HydrophobicContact CD1-CG 4.06Å; I51-L55 HydrophobicContact CG1-CB 4.46Å; I51-L55 HydrophobicContact CG1-CD2 4.45Å; I51-L55 HydrophobicContact CG1-CG 4.33Å; I51-L55 HydrophobicContact CG2-CD2 4.35Å; I51-Q56 HydrophobicContact CD1-CB 4.48Å; I51-Q56 HydrophobicContact CD1-CG 3.69Å; I51-Q56 HydrophobicContact CG1-CB 4.37Å; I51-Q56 HydrophobicContact CG1-CG 3.28Å; I51-Q56 PolarHBondContact O-NE2 3.13Å; I51-L59 HydrophobicContact CD1-CD2 4.41Å
52N81.3Confident79.8Confident37 Ų3743.8 Ų43.820%0.19823%0.229CC..  trans-64.5153.3-177.976.824.1000111.7C15 S54 L55 Q56C15-N52 PolarHBondContact SG-N 3.31Å; N52-S54 VanDerWaalsContact C-N 3.29Å; N52-S54 PolarHBondContact O-N 3.42Å; N52-L55 PolarHBondContact O-N 3.25Å; N52-L55 WeakPolarHBondContact OD1-CB 3.46Å; N52-L55 PolarHBondContact OD1-N 2.96Å; N52-Q56 PolarHBondContact O-N 2.79Å
53P76.4Confident80.4Confident63 Ų6338 Ų3841%0.40920%0.203SC..Hα-helixtrans-57.7-37.7-175.3-30.439.2000114.7Q56 K57P53-Q56 PolarHBondContact O-N 2.9Å; P53-K57 WeakPolarHBondContact O-CB 3.2Å; P53-K57 PolarHBondContact O-N 3.34Å
54S79.9Confident80.8Confident70 Ų7034.8 Ų34.849%0.4918%0.183SC..Hα-helixtrans-64.7-47.6179.9-55.40000110.7N52 Q56 K57 D58N52-S54 VanDerWaalsContact C-N 3.29Å; N52-S54 PolarHBondContact O-N 3.42Å; S54-Q56 PolarHBondContact O-N 3.33Å; S54-K57 WeakPolarHBondContact O-CB 3.14Å; S54-K57 PolarHBondContact O-N 2.79Å; S54-D58 VanDerWaalsContact O-CG 3.26Å; S54-D58 PolarHBondContact O-N 2.72Å; S54-D58 VanDerWaalsContact O-OD2 3.12Å
55L81.7Confident81.1Confident1 Ų139 Ų391%0.00521%0.205CC..Hα-helixtrans-62.8-41.1176179.754000111.3L14 Y18 L24 I51 N52 K57 D58 L59L14-L55 HydrophobicContact CB-CD2 4.34Å; Y18-L55 HydrophobicContact CD1-CB 3.98Å; Y18-L55 HydrophobicContact CD1-CD1 4.03Å; Y18-L55 HydrophobicContact CD1-CG 4.45Å; Y18-L55 HydrophobicContact CD2-CD1 3.79Å; Y18-L55 HydrophobicContact CE1-CB 4.37Å; Y18-L55 HydrophobicContact CE1-CD1 4.47Å; Y18-L55 HydrophobicContact CE2-CD1 4.28Å; Y18-L55 HydrophobicContact CG-CB 4.42Å; Y18-L55 HydrophobicContact CG-CD1 3.67Å; Y18-L55 HydrophobicContact CG-CD2 4.46Å; Y18-L55 HydrophobicContact CG-CG 4.39Å; L24-L55 HydrophobicContact CD2-CD1 3.39Å; I51-L55 HydrophobicContact CB-CD2 4.1Å; I51-L55 HydrophobicContact CD1-CD2 4.36Å; I51-L55 HydrophobicContact CD1-CG 4.06Å; I51-L55 HydrophobicContact CG1-CB 4.46Å; I51-L55 HydrophobicContact CG1-CD2 4.45Å; I51-L55 HydrophobicContact CG1-CG 4.33Å; I51-L55 HydrophobicContact CG2-CD2 4.35Å; N52-L55 PolarHBondContact O-N 3.25Å; N52-L55 WeakPolarHBondContact OD1-CB 3.46Å; N52-L55 PolarHBondContact OD1-N 2.96Å; L55-K57 VanDerWaalsContact C-N 3.31Å; L55-K57 PolarHBondContact O-N 3.03Å; L55-D58 PolarHBondContact O-N 3.48Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 PolarHBondContact O-N 3.44Å
56Q80.5Confident81.5Confident7 Ų744.2 Ų44.23%0.03323%0.229CC..Hα-helixtrans-57.3-46.4174.1-68.5179.3-15.100111.7F48 S49 I51 N52 P53 S54 T60 V92F48-Q56 HydrophobicContact CE1-CG 4.33Å; F48-Q56 HydrophobicContact CE2-CB 4.26Å; F48-Q56 HydrophobicContact CE2-CG 4.21Å; F48-Q56 HydrophobicContact CZ-CB 3.96Å; F48-Q56 HydrophobicContact CZ-CG 4.04Å; F48-Q56 PolarHBondContact O-NE2 3.32Å; S49-Q56 PolarHBondContact O-NE2 2.96Å; I51-Q56 HydrophobicContact CD1-CB 4.48Å; I51-Q56 HydrophobicContact CD1-CG 3.69Å; I51-Q56 HydrophobicContact CG1-CB 4.37Å; I51-Q56 HydrophobicContact CG1-CG 3.28Å; I51-Q56 PolarHBondContact O-NE2 3.13Å; N52-Q56 PolarHBondContact O-N 2.79Å; P53-Q56 PolarHBondContact O-N 2.9Å; S54-Q56 PolarHBondContact O-N 3.33Å; Q56-T60 VanDerWaalsContact O-CB 3.27Å; Q56-T60 WeakPolarHBondContact O-CB 3.32Å; Q56-T60 PolarHBondContact O-N 3.01Å; Q56-T60 PolarHBondContact O-OG1 2.76Å; Q56-V92 HydrophobicContact CB-CG2 3.6Å; Q56-V92 HydrophobicContact CG-CG2 4.29Å; Q56-V92 VanDerWaalsContact OE1-CG2 3.3Å
57K80.2Confident81.9Confident104 Ų10442.2 Ų42.245%0.45222%0.218SC..Hα-helixtrans-61.7-54.1178.4163.3172.9179.7-158.80111.4P53 S54 L55 L59 T60 L61 I95P53-K57 WeakPolarHBondContact O-CB 3.2Å; P53-K57 PolarHBondContact O-N 3.34Å; S54-K57 WeakPolarHBondContact O-CB 3.14Å; S54-K57 PolarHBondContact O-N 2.79Å; L55-K57 VanDerWaalsContact C-N 3.31Å; L55-K57 PolarHBondContact O-N 3.03Å; K57-L59 VanDerWaalsContact C-N 3.34Å; K57-L59 PolarHBondContact O-N 3.3Å; K57-T60 PolarHBondContact O-N 3.13Å; K57-L61 HydrophobicContact CD-CD1 4.45Å; K57-L61 HydrophobicContact CG-CD1 3.75Å; K57-L61 HydrophobicContact CG-CG 4.5Å; K57-L61 WeakPolarHBondContact O-CG 3.3Å; K57-L61 PolarHBondContact O-N 2.68Å; K57-I95 HydrophobicContact CB-CD1 3.65Å; K57-I95 HydrophobicContact CD-CD1 3.79Å; K57-I95 HydrophobicContact CG-CD1 3.57Å
58D81.8Confident82Confident47 Ų4747.2 Ų47.225%0.25125%0.253SS..Hα-helixtrans-67.5-39.3-173.4-62.6-30.1000110.6Y18 S54 L55 T60 L61 F62Y18-D58 VanDerWaalsContact OH-CG 3.3Å; Y18-D58 PolarHBondContact OH-OD2 3.12Å; S54-D58 VanDerWaalsContact O-CG 3.26Å; S54-D58 PolarHBondContact O-N 2.72Å; S54-D58 VanDerWaalsContact O-OD2 3.12Å; L55-D58 PolarHBondContact O-N 3.48Å; D58-T60 VanDerWaalsContact C-N 3.35Å; D58-T60 PolarHBondContact O-N 2.92Å; D58-L61 PolarHBondContact O-N 2.7Å; D58-F62 WeakPolarHBondContact O-CB 3.42Å; D58-F62 PolarHBondContact O-N 3.48Å
59L83.2Confident82.3Confident1 Ų150.6 Ų50.61%0.00527%0.271CS..Hα-helixtrans-60.4-44.6173.5-173.666.5000112L24 Q28 I29 L32 F48 I51 L55 K57 Y63L24-L59 HydrophobicContact CD2-CB 4.39Å; L24-L59 HydrophobicContact CD2-CD1 4.19Å; Q28-L59 VanDerWaalsContact C-CD1 3.43Å; Q28-L59 HydrophobicContact CB-CD1 4.08Å; Q28-L59 VanDerWaalsContact O-CD1 3.27Å; Q28-L59 WeakPolarHBondContact O-CD1 3.45Å; I29-L59 HydrophobicContact CG1-CD1 4.33Å; L32-L59 HydrophobicContact CB-CD2 3.94Å; L32-L59 HydrophobicContact CB-CG 4.04Å; L32-L59 HydrophobicContact CD2-CG 4.21Å; F48-L59 HydrophobicContact CD2-CD2 4.06Å; F48-L59 HydrophobicContact CE2-CD2 3.95Å; I51-L59 HydrophobicContact CD1-CD2 4.41Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 PolarHBondContact O-N 3.44Å; K57-L59 VanDerWaalsContact C-N 3.34Å; K57-L59 PolarHBondContact O-N 3.3Å; L59-Y63 VanDerWaalsContact O-CB 3.23Å; L59-Y63 WeakPolarHBondContact O-CB 3.44Å; L59-Y63 PolarHBondContact O-N 2.78Å
60T83.4Confident82.8Confident2 Ų251.2 Ų51.21%0.01227%0.27CS..Hα-helixtrans-63.4-50.5178.6-60.60000111.3Q56 K57 D58 F64 V92 L96 L99Q56-T60 VanDerWaalsContact O-CB 3.27Å; Q56-T60 WeakPolarHBondContact O-CB 3.32Å; Q56-T60 PolarHBondContact O-N 3.01Å; Q56-T60 PolarHBondContact O-OG1 2.76Å; K57-T60 PolarHBondContact O-N 3.13Å; D58-T60 VanDerWaalsContact C-N 3.35Å; D58-T60 PolarHBondContact O-N 2.92Å; T60-F64 HydrophobicContact CG2-CD2 3.9Å; T60-F64 HydrophobicContact CG2-CE2 4.08Å; T60-F64 VanDerWaalsContact O-CD2 3.28Å; T60-F64 WeakPolarHBondContact O-CD2 3.48Å; T60-F64 PolarHBondContact O-N 3.27Å; T60-V92 HydrophobicContact CG2-CG1 4.3Å; T60-L96 HydrophobicContact CG2-CD2 3.44Å; T60-L96 VanDerWaalsContact CG2-CD2 3.44Å; T60-L96 HydrophobicContact CG2-CG 4.17Å; T60-L99 HydrophobicContact CG2-CD1 4.07Å
61L84.7Confident83.1Confident46 Ų4648.4 Ų48.424%0.24126%0.259CS..Hα-helixtrans-59.5-50.6178.9-73168.5000110.8K57 D58 N65 I95 L99K57-L61 HydrophobicContact CD-CD1 4.45Å; K57-L61 HydrophobicContact CG-CD1 3.75Å; K57-L61 HydrophobicContact CG-CG 4.5Å; K57-L61 WeakPolarHBondContact O-CG 3.3Å; K57-L61 PolarHBondContact O-N 2.68Å; D58-L61 PolarHBondContact O-N 2.7Å; L61-N65 WeakPolarHBondContact O-CB 3.34Å; L61-N65 PolarHBondContact O-N 2.7Å; L61-N65 PolarHBondContact O-ND2 2.92Å; L61-I95 HydrophobicContact CD2-CG2 4.02Å; L61-I95 HydrophobicContact CG-CG2 4.23Å; L61-L99 HydrophobicContact CD2-CD1 4Å; L61-L99 HydrophobicContact CD2-CD2 3.96Å; L61-L99 HydrophobicContact CD2-CG 4.23Å
62F83.7Confident83.3Confident85 Ų8555.6 Ų55.637%0.37329%0.285SS..Hα-helixtrans-62.1-47.9-177.2-174.6-94.3000112L24 I29 D58 F64 N65 Q66L24-F62 HydrophobicContact CD1-CB 3.39Å; L24-F62 HydrophobicContact CD1-CD1 3.95Å; L24-F62 HydrophobicContact CD1-CD2 4.17Å; L24-F62 HydrophobicContact CD1-CG 3.59Å; I29-F62 HydrophobicContact CD1-CD1 3.93Å; I29-F62 HydrophobicContact CD1-CE1 3.29Å; I29-F62 HydrophobicContact CD1-CZ 4.15Å; I29-F62 HydrophobicContact CG1-CD1 3.82Å; I29-F62 HydrophobicContact CG1-CE1 3.72Å; D58-F62 WeakPolarHBondContact O-CB 3.42Å; D58-F62 PolarHBondContact O-N 3.48Å; F62-F64 PolarHBondContact O-N 3.12Å; F62-N65 PolarHBondContact O-N 3.08Å; F62-Q66 WeakPolarHBondContact O-CG 3.44Å; F62-Q66 PolarHBondContact O-N 3.12Å
63Y85.2Confident83.7Confident30 Ų3055.3 Ų55.312%0.11828%0.281CS..Hα-helixtrans-61-47.8-178.8179.7-96000112.6I29 L32 V36 L59 Q66 M67I29-Y63 HydrophobicContact CG2-CD2 4.18Å; L32-Y63 HydrophobicContact CB-CG 4.38Å; L32-Y63 HydrophobicContact CD2-CD1 3.94Å; L32-Y63 HydrophobicContact CD2-CG 3.83Å; L32-Y63 HydrophobicContact CG-CD1 4.05Å; L32-Y63 HydrophobicContact CG-CG 4.05Å; V36-Y63 HydrophobicContact CB-CE1 4.27Å; V36-Y63 HydrophobicContact CG1-CE1 4.4Å; V36-Y63 HydrophobicContact CG2-CE1 3.78Å; L59-Y63 VanDerWaalsContact O-CB 3.23Å; L59-Y63 WeakPolarHBondContact O-CB 3.44Å; L59-Y63 PolarHBondContact O-N 2.78Å; Y63-Q66 PolarHBondContact O-N 2.96Å; Y63-M67 HydrophobicContact CD1-CE 4.3Å; Y63-M67 HydrophobicContact CE1-CE 3.4Å
64F85.8Confident84.4Confident0 Ų052.3 Ų52.30%026%0.262CS..Hα-helixtrans-74.2-33.7-177.8-74.3-62.7000112.6L32 V36 T60 F62 Q66 M67 R73 N76 I77 L80 L96L32-F64 HydrophobicContact CD2-CE2 4.41Å; V36-F64 HydrophobicContact CG2-CZ 4.12Å; T60-F64 HydrophobicContact CG2-CD2 3.9Å; T60-F64 HydrophobicContact CG2-CE2 4.08Å; T60-F64 VanDerWaalsContact O-CD2 3.28Å; T60-F64 WeakPolarHBondContact O-CD2 3.48Å; T60-F64 PolarHBondContact O-N 3.27Å; F62-F64 PolarHBondContact O-N 3.12Å; F64-Q66 PolarHBondContact O-N 3.29Å; F64-M67 HydrophobicContact CD1-CE 4.4Å; F64-M67 HydrophobicContact CD1-SD 4.09Å; F64-M67 HydrophobicContact CE1-CE 4.41Å; F64-M67 HydrophobicContact CE1-SD 4.47Å; F64-M67 WeakPolarHBondContact O-CB 3.31Å; F64-M67 PolarHBondContact O-N 2.83Å; F64-M67 VanDerWaalsContact O-N 3.08Å; F64-R73 HydrophobicContact CB-CG 4.15Å; F64-R73 HydrophobicContact CD1-CG 4.1Å; F64-R73 VanDerWaalsContact O-CD 3.29Å; F64-R73 WeakPolarHBondContact O-CD 3.5Å; F64-R73 PolarHBondContact O-NE 2.96Å; F64-N76 HydrophobicContact CE1-CB 4.03Å; F64-I77 HydrophobicContact CB-CD1 4.32Å; F64-I77 HydrophobicContact CD1-CD1 3.95Å; F64-I77 HydrophobicContact CD1-CG1 3.58Å; F64-I77 HydrophobicContact CD2-CD1 4.3Å; F64-I77 HydrophobicContact CD2-CG1 3.98Å; F64-I77 HydrophobicContact CE1-CD1 4.38Å; F64-I77 HydrophobicContact CE1-CG1 3.51Å; F64-I77 HydrophobicContact CE2-CG1 3.92Å; F64-I77 HydrophobicContact CG-CD1 3.92Å; F64-I77 HydrophobicContact CG-CG1 3.84Å; F64-I77 HydrophobicContact CZ-CG1 3.69Å; F64-L80 HydrophobicContact CE2-CD1 3.98Å; F64-L80 HydrophobicContact CZ-CD1 3.55Å; F64-L96 HydrophobicContact CD2-CD2 4.32Å; F64-L96 HydrophobicContact CE2-CD2 3.78Å
65N85.2Confident84.8Confident91 Ų9152.8 Ų52.849%0.48726%0.256SS..Hα-helixtrans-65-21.8177.1-73.3-15.6000113.3L61 F62 M67L61-N65 WeakPolarHBondContact O-CB 3.34Å; L61-N65 PolarHBondContact O-N 2.7Å; L61-N65 PolarHBondContact O-ND2 2.92Å; F62-N65 PolarHBondContact O-N 3.08Å; N65-M67 VanDerWaalsContact C-N 3.31Å
66Q84.6Confident84.9Confident117 Ų11754.3 Ų54.355%0.54727%0.265SS..THydrogen-bonded Turntrans-72.9-19.9173.6-71.7-173.6300114.2F62 Y63 F64 S68F62-Q66 WeakPolarHBondContact O-CG 3.44Å; F62-Q66 PolarHBondContact O-N 3.12Å; Y63-Q66 PolarHBondContact O-N 2.96Å; F64-Q66 PolarHBondContact O-N 3.29Å; Q66-S68 PolarHBondContact O-N 3.25Å
67M83.3Confident85.3Confident37 Ų3754 Ų5418%0.18226%0.263CS..  trans-76.8113.3-177.4-66-169.9172.700110.3Y63 F64 N65 D69 R73 N76Y63-M67 HydrophobicContact CD1-CE 4.3Å; Y63-M67 HydrophobicContact CE1-CE 3.4Å; F64-M67 HydrophobicContact CD1-CE 4.4Å; F64-M67 HydrophobicContact CD1-SD 4.09Å; F64-M67 HydrophobicContact CE1-CE 4.41Å; F64-M67 HydrophobicContact CE1-SD 4.47Å; F64-M67 WeakPolarHBondContact O-CB 3.31Å; F64-M67 PolarHBondContact O-N 2.83Å; F64-M67 VanDerWaalsContact O-N 3.08Å; N65-M67 VanDerWaalsContact C-N 3.31Å; M67-D69 VanDerWaalsContact C-N 3.35Å; M67-D69 PolarHBondContact O-N 2.98Å; M67-R73 HydrophobicContact CB-CB 4.07Å; M67-R73 HydrophobicContact CB-CG 4.11Å; M67-R73 PolarHBondContact O-NE 2.63Å; M67-R73 PolarHBondContact O-NH2 3.29Å; M67-R73 HydrophobicContact SD-CB 4.29Å; M67-R73 HydrophobicContact SD-CG 4.29Å; M67-N76 WeakPolarHBondContact CE-ND2 3.34Å; M67-N76 PolarHBondContact SD-ND2 3.29Å; M67-N76 VanDerWaalsContact SD-ND2 3.4Å
68S82.4Confident85.7Confident106 Ų10649.3 Ų49.374%0.74124%0.243SC*.  trans-71.3-24.9-178.359.90000114.9Q66Q66-S68 PolarHBondContact O-N 3.25Å
69D85.9Confident85.8Confident79 Ų7951.7 Ų51.742%0.42225%0.251SS..  trans-89110.1-179.9178.1-21.1000109.8M67 L71 R72 R73M67-D69 VanDerWaalsContact C-N 3.35Å; M67-D69 PolarHBondContact O-N 2.98Å; D69-L71 PolarHBondContact OD1-N 3.4Å; D69-L71 VanDerWaalsContact OD1-N 3.08Å; D69-R72 HydrophobicContact CB-CB 3.91Å; D69-R72 VanDerWaalsContact CG-CB 3.44Å; D69-R72 PolarHBondContact OD1-N 3.32Å; D69-R73 VanDerWaalsContact O-CB 3.25Å; D69-R73 WeakPolarHBondContact O-CB 3.24Å; D69-R73 PolarHBondContact O-N 2.71Å
70E88.3Confident85.7Confident47 Ų4751.8 Ų51.822%0.2225%0.252CS..Hα-helixtrans-67.4-36.3-174.4-61.283.8178.300112.8R73 A74 S103 D106E70-R73 PolarHBondContact O-N 2.88Å; E70-A74 WeakPolarHBondContact O-CB 3.46Å; E70-A74 PolarHBondContact O-N 2.62Å; E70-S103 WeakPolarHBondContact CB-O 3.38Å; E70-D106 HydrophobicContact CG-CB 4.17Å
71L86.3Confident85.7Confident40 Ų4052 Ų5221%0.20925%0.252CS..Hα-helixtrans-68.2-49.1178.4-177.660.9000109.9D69 R73 A74 E75 Y186 K189D69-L71 PolarHBondContact OD1-N 3.4Å; D69-L71 VanDerWaalsContact OD1-N 3.08Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.89Å; L71-A74 WeakPolarHBondContact O-CB 3.47Å; L71-A74 PolarHBondContact O-N 3.22Å; L71-E75 WeakPolarHBondContact O-CG 3.38Å; L71-E75 PolarHBondContact O-N 3.42Å; L71-Y186 HydrophobicContact CB-CE1 3.85Å; L71-Y186 HydrophobicContact CD1-CD1 4.05Å; L71-Y186 HydrophobicContact CD1-CE1 3.81Å; L71-Y186 HydrophobicContact CG-CE1 4.35Å; L71-K189 HydrophobicContact CD1-CD 3.94Å
72R86.3Confident85.5Confident158 Ų15854 Ų5460%0.59626%0.263SS*.Hα-helixtrans-62.2-37.8177.5-173.9178.7-179.2-173.80.1111.9D69 E75 N76D69-R72 HydrophobicContact CB-CB 3.91Å; D69-R72 VanDerWaalsContact CG-CB 3.44Å; D69-R72 PolarHBondContact OD1-N 3.32Å; R72-E75 PolarHBondContact O-N 3.45Å; R72-N76 WeakPolarHBondContact O-CB 3.28Å; R72-N76 VanDerWaalsContact O-CG 3.25Å; R72-N76 PolarHBondContact O-N 3.14Å; R72-N76 PolarHBondContact O-ND2 3.28Å
73R88.8Confident85Confident30 Ų3051.8 Ų51.811%0.11326%0.256CS..Hα-helixtrans-59.9-50.2174.1-170.1-165.6-64173.9-4.6110.3F64 M67 D69 E70 L71 E75 N76 I77 S103F64-R73 HydrophobicContact CB-CG 4.15Å; F64-R73 HydrophobicContact CD1-CG 4.1Å; F64-R73 VanDerWaalsContact O-CD 3.29Å; F64-R73 WeakPolarHBondContact O-CD 3.5Å; F64-R73 PolarHBondContact O-NE 2.96Å; M67-R73 HydrophobicContact CB-CB 4.07Å; M67-R73 HydrophobicContact CB-CG 4.11Å; M67-R73 PolarHBondContact O-NE 2.63Å; M67-R73 PolarHBondContact O-NH2 3.29Å; M67-R73 HydrophobicContact SD-CB 4.29Å; M67-R73 HydrophobicContact SD-CG 4.29Å; D69-R73 VanDerWaalsContact O-CB 3.25Å; D69-R73 WeakPolarHBondContact O-CB 3.24Å; D69-R73 PolarHBondContact O-N 2.71Å; E70-R73 PolarHBondContact O-N 2.88Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.89Å; R73-E75 PolarHBondContact O-N 3.21Å; R73-N76 PolarHBondContact O-N 3.35Å; R73-I77 HydrophobicContact CG-CD1 4.11Å; R73-I77 WeakPolarHBondContact O-CD1 3.27Å; R73-I77 VanDerWaalsContact O-CG1 3.26Å; R73-I77 WeakPolarHBondContact O-CG1 3.43Å; R73-I77 PolarHBondContact O-N 3.5Å; R73-I77 VanDerWaalsContact O-N 3.09Å; R73-S103 VanDerWaalsContact CD-OG 3.24Å; R73-S103 WeakPolarHBondContact CD-OG 3.33Å
74A90.5Very high84Confident0 Ų058.4 Ų58.40%029%0.285CS..Hα-helixtrans-60.1-43.9177.200000112.4E70 L71 I77 I78 L104E70-A74 WeakPolarHBondContact O-CB 3.46Å; E70-A74 PolarHBondContact O-N 2.62Å; L71-A74 WeakPolarHBondContact O-CB 3.47Å; L71-A74 PolarHBondContact O-N 3.22Å; A74-I77 PolarHBondContact O-N 2.86Å; A74-I78 WeakPolarHBondContact O-CB 3.33Å; A74-I78 VanDerWaalsContact O-CG1 3.27Å; A74-I78 WeakPolarHBondContact O-CG1 3.42Å; A74-I78 PolarHBondContact O-N 3.34Å; A74-L104 HydrophobicContact CB-CD2 3.47Å; A74-L104 VanDerWaalsContact CB-CD2 3.47Å; A74-L104 HydrophobicContact CB-CG 3.67Å
75E88.2Confident82.8Confident80 Ų8062.2 Ų62.237%0.37431%0.305SS..Hα-helixtrans-63-43.1178.9-72.9-177.5153.900112.7L71 R72 R73 I77 I78 F79 K189L71-E75 WeakPolarHBondContact O-CG 3.38Å; L71-E75 PolarHBondContact O-N 3.42Å; R72-E75 PolarHBondContact O-N 3.45Å; R73-E75 PolarHBondContact O-N 3.21Å; E75-I77 VanDerWaalsContact C-N 3.31Å; E75-I77 PolarHBondContact O-N 3.38Å; E75-I78 PolarHBondContact O-N 3.13Å; E75-F79 VanDerWaalsContact O-CB 3.24Å; E75-F79 WeakPolarHBondContact O-CB 3.48Å; E75-F79 PolarHBondContact O-N 3.18Å; E75-K189 HydrophobicContact CG-CD 4.48Å; E75-K189 WeakPolarHBondContact OE1-CE 3.32Å; E75-K189 IonicContact OE1-NZ 2.99Å; E75-K189 PolarHBondContact OE1-NZ 2.81Å
76N85.7Confident81.3Confident34 Ų3458.4 Ų58.418%0.18229%0.285CS..Hα-helixtrans-61.7-40.9175-72.2-28.2000111.4V36 F64 M67 R72 R73 F79 L80V36-N76 HydrophobicContact CG1-CB 4.32Å; F64-N76 HydrophobicContact CE1-CB 4.03Å; M67-N76 WeakPolarHBondContact CE-ND2 3.34Å; M67-N76 PolarHBondContact SD-ND2 3.29Å; M67-N76 VanDerWaalsContact SD-ND2 3.4Å; R72-N76 WeakPolarHBondContact O-CB 3.28Å; R72-N76 VanDerWaalsContact O-CG 3.25Å; R72-N76 PolarHBondContact O-N 3.14Å; R72-N76 PolarHBondContact O-ND2 3.28Å; R73-N76 PolarHBondContact O-N 3.35Å; N76-F79 PolarHBondContact O-N 3.25Å; N76-L80 WeakPolarHBondContact O-CG 3.34Å; N76-L80 PolarHBondContact O-N 2.98Å
77I88.8Confident79.8Confident0 Ų055.1 Ų55.10%027%0.273CS..Hα-helixtrans-68.5-45.8178-62.8163.7000110.8F64 R73 A74 E75 F79 L80 L81 L96 L99 A100F64-I77 HydrophobicContact CB-CD1 4.32Å; F64-I77 HydrophobicContact CD1-CD1 3.95Å; F64-I77 HydrophobicContact CD1-CG1 3.58Å; F64-I77 HydrophobicContact CD2-CD1 4.3Å; F64-I77 HydrophobicContact CD2-CG1 3.98Å; F64-I77 HydrophobicContact CE1-CD1 4.38Å; F64-I77 HydrophobicContact CE1-CG1 3.51Å; F64-I77 HydrophobicContact CE2-CG1 3.92Å; F64-I77 HydrophobicContact CG-CD1 3.92Å; F64-I77 HydrophobicContact CG-CG1 3.84Å; F64-I77 HydrophobicContact CZ-CG1 3.69Å; R73-I77 HydrophobicContact CG-CD1 4.11Å; R73-I77 WeakPolarHBondContact O-CD1 3.27Å; R73-I77 VanDerWaalsContact O-CG1 3.26Å; R73-I77 WeakPolarHBondContact O-CG1 3.43Å; R73-I77 PolarHBondContact O-N 3.5Å; R73-I77 VanDerWaalsContact O-N 3.09Å; A74-I77 PolarHBondContact O-N 2.86Å; E75-I77 VanDerWaalsContact C-N 3.31Å; E75-I77 PolarHBondContact O-N 3.38Å; I77-F79 PolarHBondContact O-N 3.34Å; I77-L80 WeakPolarHBondContact O-CB 3.42Å; I77-L80 PolarHBondContact O-N 3.21Å; I77-L80 VanDerWaalsContact O-N 3.16Å; I77-L81 HydrophobicContact CG2-CD1 4.05Å; I77-L81 HydrophobicContact CG2-CG 4.29Å; I77-L81 WeakPolarHBondContact O-CB 3.31Å; I77-L81 VanDerWaalsContact O-CG 3.3Å; I77-L81 WeakPolarHBondContact O-CG 3.49Å; I77-L81 PolarHBondContact O-N 3.24Å; I77-L96 HydrophobicContact CG2-CB 3.93Å; I77-L96 HydrophobicContact CG2-CD2 3.99Å; I77-L96 VanDerWaalsContact CG2-O 3.27Å; I77-L96 WeakPolarHBondContact CG2-O 3.22Å; I77-L99 HydrophobicContact CD1-CB 3.87Å; I77-A100 HydrophobicContact CB-CB 4.2Å; I77-A100 HydrophobicContact CG2-CB 3.72Å
78I88.2Confident78.3Confident5 Ų560.8 Ų60.83%0.02630%0.297CS..Hα-helixtrans-59.4-40176-72.5168.1000110.6A74 E75 L81 N82 L104 E193 L197A74-I78 WeakPolarHBondContact O-CB 3.33Å; A74-I78 VanDerWaalsContact O-CG1 3.27Å; A74-I78 WeakPolarHBondContact O-CG1 3.42Å; A74-I78 PolarHBondContact O-N 3.34Å; E75-I78 PolarHBondContact O-N 3.13Å; I78-L81 PolarHBondContact O-N 3.12Å; I78-N82 PolarHBondContact O-N 3.06Å; I78-N82 VanDerWaalsContact O-N 3.12Å; I78-N82 PolarHBondContact O-ND2 3.42Å; I78-L104 HydrophobicContact CD1-CD1 4.38Å; I78-E193 HydrophobicContact CD1-CB 4.39Å; I78-E193 HydrophobicContact CG2-CB 4.15Å; I78-L197 HydrophobicContact CB-CD1 4.5Å; I78-L197 HydrophobicContact CG2-CD1 3.95Å
79F84.2Confident77.6Confident98 Ų9857.3 Ų57.343%0.4327%0.268SS..Hα-helixtrans-61.1-49.1174.4176.1-111.7000111.3P39 E75 N76 I77 L81 N82 L83P39-F79 HydrophobicContact CG-CD1 4.49Å; P39-F79 HydrophobicContact CG-CE1 3.34Å; P39-F79 HydrophobicContact CG-CZ 3.61Å; E75-F79 VanDerWaalsContact O-CB 3.24Å; E75-F79 WeakPolarHBondContact O-CB 3.48Å; E75-F79 PolarHBondContact O-N 3.18Å; N76-F79 PolarHBondContact O-N 3.25Å; I77-F79 PolarHBondContact O-N 3.34Å; F79-L81 VanDerWaalsContact C-N 3.34Å; F79-L81 PolarHBondContact O-N 3.4Å; F79-N82 PolarHBondContact O-N 3.3Å; F79-N82 VanDerWaalsContact O-N 3.12Å; F79-L83 HydrophobicContact CZ-CD2 4.46Å; F79-L83 PolarHBondContact O-N 3.24Å
80L80.9Confident76.5Confident3 Ų357.2 Ų57.22%0.01627%0.272CS..Hα-helixtrans-57.9-44174.6-73.6-172.3000112.6I35 V36 F64 N76 I77 N82 L83I35-L80 HydrophobicContact CG2-CD2 4.12Å; V36-L80 HydrophobicContact CG2-CD1 3.83Å; V36-L80 HydrophobicContact CG2-CD2 4.07Å; V36-L80 HydrophobicContact CG2-CG 4.17Å; F64-L80 HydrophobicContact CE2-CD1 3.98Å; F64-L80 HydrophobicContact CZ-CD1 3.55Å; N76-L80 WeakPolarHBondContact O-CG 3.34Å; N76-L80 PolarHBondContact O-N 2.98Å; I77-L80 WeakPolarHBondContact O-CB 3.42Å; I77-L80 PolarHBondContact O-N 3.21Å; I77-L80 VanDerWaalsContact O-N 3.16Å; L80-N82 PolarHBondContact O-N 2.92Å; L80-L83 HydrophobicContact CD2-CD1 3.82Å; L80-L83 WeakPolarHBondContact O-CB 3.41Å; L80-L83 PolarHBondContact O-N 3.25Å
81L82.6Confident75.8Confident5 Ų560.3 Ų60.33%0.02629%0.286CS..Hα-helixtrans-62.2-25178.7-73.5173.3000113.1I77 I78 F79 V87 L93 L96 L97 A100 L194 L197I77-L81 HydrophobicContact CG2-CD1 4.05Å; I77-L81 HydrophobicContact CG2-CG 4.29Å; I77-L81 WeakPolarHBondContact O-CB 3.31Å; I77-L81 VanDerWaalsContact O-CG 3.3Å; I77-L81 WeakPolarHBondContact O-CG 3.49Å; I77-L81 PolarHBondContact O-N 3.24Å; I78-L81 PolarHBondContact O-N 3.12Å; F79-L81 VanDerWaalsContact C-N 3.34Å; F79-L81 PolarHBondContact O-N 3.4Å; L81-V87 WeakPolarHBondContact O-CG2 3.38Å; L81-L93 HydrophobicContact CD2-CD1 3.4Å; L81-L93 VanDerWaalsContact CD2-CD1 3.4Å; L81-L96 HydrophobicContact CD2-CB 3.68Å; L81-L96 HydrophobicContact CD2-CD1 4.12Å; L81-L96 HydrophobicContact CG-CB 4.17Å; L81-L97 HydrophobicContact CD1-CD1 4.33Å; L81-A100 HydrophobicContact CD1-CB 4.49Å; L81-L194 HydrophobicContact CD1-CD1 4.28Å; L81-L197 HydrophobicContact CB-CD1 3.66Å; L81-L197 HydrophobicContact CB-CD2 4.06Å; L81-L197 HydrophobicContact CB-CG 4.37Å; L81-L197 HydrophobicContact CD1-CD1 4.11Å; L81-L197 WeakPolarHBondContact O-CD2 3.23Å
82N80.1Confident75.4Confident88 Ų8858.6 Ų58.647%0.47128%0.277SS..Hα-helixtrans-82.5-14.7175.7-82-64.3000113.5I78 F79 L80 K84 L197I78-N82 PolarHBondContact O-N 3.06Å; I78-N82 VanDerWaalsContact O-N 3.12Å; I78-N82 PolarHBondContact O-ND2 3.42Å; F79-N82 PolarHBondContact O-N 3.3Å; F79-N82 VanDerWaalsContact O-N 3.12Å; L80-N82 PolarHBondContact O-N 2.92Å; N82-K84 PolarHBondContact O-N 3.16Å; N82-L197 WeakPolarHBondContact OD1-CD2 3.24Å
83L74.5Confident75.2Confident40 Ų4051.3 Ų51.321%0.20925%0.25CS..  trans-74.5121.9178.2-62.1170.1000110.1P39 F79 L80 D85 V86 V87P39-L83 HydrophobicContact CB-CD1 3.23Å; P39-L83 HydrophobicContact CB-CD2 3.9Å; P39-L83 HydrophobicContact CB-CG 4.2Å; P39-L83 HydrophobicContact CG-CD1 3.87Å; P39-L83 HydrophobicContact CG-CD2 4.26Å; F79-L83 HydrophobicContact CZ-CD2 4.46Å; F79-L83 PolarHBondContact O-N 3.24Å; L80-L83 HydrophobicContact CD2-CD1 3.82Å; L80-L83 WeakPolarHBondContact O-CB 3.41Å; L80-L83 PolarHBondContact O-N 3.25Å; L83-D85 PolarHBondContact O-N 2.95Å; L83-D85 VanDerWaalsContact O-N 3.09Å; L83-V86 HydrophobicContact CB-CB 4.4Å; L83-V86 HydrophobicContact CB-CG2 4.13Å; L83-V86 HydrophobicContact CD1-CG2 4.16Å; L83-V86 PolarHBondContact O-N 3.11Å; L83-V86 VanDerWaalsContact O-N 3.12Å; L83-V87 WeakPolarHBondContact O-CG2 3.46Å; L83-V87 PolarHBondContact O-N 2.92Å
84K63.9Low75Confident168 Ų16851.3 Ų51.373%0.7325%0.254SS*.THydrogen-bonded Turntrans-51-38.3179.5-71.8-174.6178.4-179.70112.5N82 V87 F88N82-K84 PolarHBondContact O-N 3.16Å; K84-V87 PolarHBondContact O-N 3.36Å; K84-F88 WeakPolarHBondContact O-CD2 3.24Å; K84-F88 VanDerWaalsContact O-CE2 3.3Å; K84-F88 WeakPolarHBondContact O-CE2 3.34Å
85D59.5Low74.7Confident81 Ų8152.9 Ų52.943%0.43326%0.262SS..THydrogen-bonded Turntrans-74.6-29.2-173.8-59.3-28.5000112.8L83 Y89L83-D85 PolarHBondContact O-N 2.95Å; L83-D85 VanDerWaalsContact O-N 3.09Å; D85-Y89 WeakPolarHBondContact O-CE2 3.34Å
86V55.4Low74.7Confident10 Ų1049.2 Ų49.26%0.06125%0.245CC..THydrogen-bonded Turntrans-81.2-30.7176.1-179.30000111.6L83 F88 Y89 L96L83-V86 HydrophobicContact CB-CB 4.4Å; L83-V86 HydrophobicContact CB-CG2 4.13Å; L83-V86 HydrophobicContact CD1-CG2 4.16Å; L83-V86 PolarHBondContact O-N 3.11Å; L83-V86 VanDerWaalsContact O-N 3.12Å; V86-F88 PolarHBondContact O-N 2.89Å; V86-Y89 HydrophobicContact CG1-CD2 4.4Å; V86-Y89 WeakPolarHBondContact O-CD2 3.32Å; V86-Y89 PolarHBondContact O-N 3.34Å; V86-L96 HydrophobicContact CG1-CD1 4Å
87V52.4Low74.9Confident49 Ų4947.8 Ų47.830%0.29724%0.237SC..THydrogen-bonded Turntrans-58.5-19.4174.2175.10000112.2L81 L83 K84L81-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 WeakPolarHBondContact O-CG2 3.46Å; L83-V87 PolarHBondContact O-N 2.92Å; K84-V87 PolarHBondContact O-N 3.36Å
88F52.6Low75Confident155 Ų15549.3 Ų49.368%0.6825%0.25SS*.THydrogen-bonded Turntrans-80-3.8176.4-73.1-71.8000115.3K84 V86 P90K84-F88 WeakPolarHBondContact O-CD2 3.24Å; K84-F88 VanDerWaalsContact O-CE2 3.3Å; K84-F88 WeakPolarHBondContact O-CE2 3.34Å; V86-F88 PolarHBondContact O-N 2.89Å; F88-P90 WeakPolarHBondContact O-CD 3.48Å
89Y65.7Low75.1Confident33 Ų3350 Ų5013%0.12925%0.254CS..  trans-95.495.3176.5-55.4-51.9000111.4C45 F48 S49 D85 V86 Q91 V92 L93C45-Y89 PolarHBondContact O-OH 3.42Å; F48-Y89 HydrophobicContact CD1-CD2 4.2Å; F48-Y89 HydrophobicContact CD1-CE2 4.12Å; F48-Y89 HydrophobicContact CE1-CD2 4.17Å; S49-Y89 VanDerWaalsContact CA-CE1 3.48Å; S49-Y89 WeakPolarHBondContact CB-OH 3.37Å; D85-Y89 WeakPolarHBondContact O-CE2 3.34Å; V86-Y89 HydrophobicContact CG1-CD2 4.4Å; V86-Y89 WeakPolarHBondContact O-CD2 3.32Å; V86-Y89 PolarHBondContact O-N 3.34Å; Y89-Q91 PolarHBondContact O-N 2.65Å; Y89-V92 PolarHBondContact O-N 3.19Å; Y89-L93 PolarHBondContact O-N 2.95Å
90P64.4Low75.5Confident77 Ų7745.3 Ų45.350%0.523%0.233SC..THydrogen-bonded Turntrans-64.8-22.1-167-22.638.3000113.2F88 P94 T205F88-P90 WeakPolarHBondContact O-CD 3.48Å; P90-P94 WeakPolarHBondContact O-CD 3.37Å; P90-T205 HydrophobicContact CB-CG2 3.67Å; P90-T205 VanDerWaalsContact O-CG2 3.24Å; P90-T205 WeakPolarHBondContact O-CG2 3.45Å
91Q72.4Confident76.1Confident112 Ų11246.3 Ų46.352%0.52324%0.237SC..THydrogen-bonded Turntrans-92.6-29.1-172-66.7168.5-1500113.1Y89Y89-Q91 PolarHBondContact O-N 2.65Å
92V78.8Confident76.6Confident4 Ų450.3 Ų50.32%0.02426%0.256CS..THydrogen-bonded Turntrans-86.9-28.7-179.7-175.60000110.9F48 Q56 T60 Y89 I95 L96F48-V92 HydrophobicContact CE1-CG2 4.34Å; F48-V92 HydrophobicContact CZ-CG1 4.46Å; F48-V92 HydrophobicContact CZ-CG2 4.3Å; Q56-V92 HydrophobicContact CB-CG2 3.6Å; Q56-V92 HydrophobicContact CG-CG2 4.29Å; Q56-V92 VanDerWaalsContact OE1-CG2 3.3Å; T60-V92 HydrophobicContact CG2-CG1 4.3Å; Y89-V92 PolarHBondContact O-N 3.19Å; V92-I95 WeakPolarHBondContact O-CA 3.3Å; V92-I95 WeakPolarHBondContact O-CB 3.41Å; V92-I95 PolarHBondContact O-N 2.86Å; V92-L96 HydrophobicContact CG1-CD1 3.8Å; V92-L96 HydrophobicContact CG1-CG 3.85Å; V92-L96 PolarHBondContact O-N 3.29Å
93L81.5Confident77.2Confident5 Ų546.2 Ų46.23%0.02623%0.233CC..Hα-helixtrans-55.6-45.3-175.8-166.665.3000114L81 Y89 I95 L96 L97 A201 T205 M207L81-L93 HydrophobicContact CD2-CD1 3.4Å; L81-L93 VanDerWaalsContact CD2-CD1 3.4Å; Y89-L93 PolarHBondContact O-N 2.95Å; L93-I95 VanDerWaalsContact C-N 3.28Å; L93-I95 PolarHBondContact O-N 3.04Å; L93-L96 PolarHBondContact O-N 3.4Å; L93-L97 WeakPolarHBondContact O-CB 3.45Å; L93-L97 PolarHBondContact O-N 3.08Å; L93-A201 HydrophobicContact CD1-CB 4.38Å; L93-A201 HydrophobicContact CD2-CB 3.45Å; L93-A201 VanDerWaalsContact CD2-CB 3.45Å; L93-A201 HydrophobicContact CG-CB 3.91Å; L93-T205 HydrophobicContact CB-CG2 4.32Å; L93-T205 HydrophobicContact CD2-CG2 3.75Å; L93-M207 HydrophobicContact CB-CE 4.19Å; L93-M207 HydrophobicContact CD2-CE 3.82Å; L93-M207 HydrophobicContact CG-CE 3.6Å
94P84Confident78.1Confident30 Ų3044.3 Ų44.320%0.19522%0.224CC..Hα-helixtrans-63.9-34175.7-20.633.9000113.2P90 L97 A98 M207P90-P94 WeakPolarHBondContact O-CD 3.37Å; P94-L97 PolarHBondContact O-N 3.01Å; P94-A98 WeakPolarHBondContact O-CB 3.48Å; P94-A98 PolarHBondContact O-N 3.3Å; P94-M207 VanDerWaalsContact CA-SD 3.54Å; P94-M207 HydrophobicContact CB-SD 3.72Å; P94-M207 HydrophobicContact CG-CE 4.3Å; P94-M207 HydrophobicContact CG-SD 3.8Å
95I85.6Confident79.4Confident34 Ų3437 Ų3717%0.17419%0.193CC..Hα-helixtrans-70-47.2-179.3-53.6-179.5000109.8K57 L61 V92 L93 L97 A98 L99K57-I95 HydrophobicContact CB-CD1 3.65Å; K57-I95 HydrophobicContact CD-CD1 3.79Å; K57-I95 HydrophobicContact CG-CD1 3.57Å; L61-I95 HydrophobicContact CD2-CG2 4.02Å; L61-I95 HydrophobicContact CG-CG2 4.23Å; V92-I95 WeakPolarHBondContact O-CA 3.3Å; V92-I95 WeakPolarHBondContact O-CB 3.41Å; V92-I95 PolarHBondContact O-N 2.86Å; L93-I95 VanDerWaalsContact C-N 3.28Å; L93-I95 PolarHBondContact O-N 3.04Å; I95-L97 VanDerWaalsContact C-N 3.32Å; I95-L97 PolarHBondContact O-N 3.02Å; I95-A98 PolarHBondContact O-N 3.49Å; I95-L99 HydrophobicContact CG2-CD1 3.97Å; I95-L99 HydrophobicContact CG2-CG 4.39Å; I95-L99 WeakPolarHBondContact O-CB 3.24Å; I95-L99 VanDerWaalsContact O-CG 3.3Å; I95-L99 WeakPolarHBondContact O-CG 3.43Å; I95-L99 PolarHBondContact O-N 3.11Å
96L88.3Confident80.7Confident3 Ų335.5 Ų35.52%0.01618%0.184CC..Hα-helixtrans-60.2-43.1175.3-70.7171.8000111.3T60 F64 I77 L81 V86 V92 L93 L99 A100T60-L96 HydrophobicContact CG2-CD2 3.44Å; T60-L96 VanDerWaalsContact CG2-CD2 3.44Å; T60-L96 HydrophobicContact CG2-CG 4.17Å; F64-L96 HydrophobicContact CD2-CD2 4.32Å; F64-L96 HydrophobicContact CE2-CD2 3.78Å; I77-L96 HydrophobicContact CG2-CB 3.93Å; I77-L96 HydrophobicContact CG2-CD2 3.99Å; I77-L96 VanDerWaalsContact CG2-O 3.27Å; I77-L96 WeakPolarHBondContact CG2-O 3.22Å; L81-L96 HydrophobicContact CD2-CB 3.68Å; L81-L96 HydrophobicContact CD2-CD1 4.12Å; L81-L96 HydrophobicContact CG-CB 4.17Å; V86-L96 HydrophobicContact CG1-CD1 4Å; V92-L96 HydrophobicContact CG1-CD1 3.8Å; V92-L96 HydrophobicContact CG1-CG 3.85Å; V92-L96 PolarHBondContact O-N 3.29Å; L93-L96 PolarHBondContact O-N 3.4Å; L96-L99 PolarHBondContact O-N 3.47Å; L96-A100 WeakPolarHBondContact O-CB 3.45Å; L96-A100 PolarHBondContact O-N 2.89Å
97L89.3Confident82.2Confident3 Ų335 Ų352%0.01618%0.182CC..Hα-helixtrans-62.7-45.4178.1-166.278.9000111.8L81 L93 P94 I95 A100 Y101 L194 A198 M207 I212 I215L81-L97 HydrophobicContact CD1-CD1 4.33Å; L93-L97 WeakPolarHBondContact O-CB 3.45Å; L93-L97 PolarHBondContact O-N 3.08Å; P94-L97 PolarHBondContact O-N 3.01Å; I95-L97 VanDerWaalsContact C-N 3.32Å; I95-L97 PolarHBondContact O-N 3.02Å; L97-A100 PolarHBondContact O-N 2.93Å; L97-Y101 WeakPolarHBondContact O-CB 3.42Å; L97-Y101 PolarHBondContact O-N 3.35Å; L97-L194 HydrophobicContact CD1-CD1 3.55Å; L97-L194 HydrophobicContact CD1-CG 4.15Å; L97-L194 HydrophobicContact CG-CD1 4.43Å; L97-A198 HydrophobicContact CD1-CB 3.92Å; L97-A198 HydrophobicContact CD2-CB 3.81Å; L97-A198 HydrophobicContact CG-CB 4.48Å; L97-M207 HydrophobicContact CD2-SD 3.98Å; L97-I212 HydrophobicContact CD2-CD1 3.67Å; L97-I215 HydrophobicContact CD1-CD1 4.4Å; L97-I215 HydrophobicContact CD2-CD1 3.97Å; L97-I215 HydrophobicContact CG-CD1 3.99Å
98A90Very high83.8Confident33 Ų3333.2 Ų33.227%0.27317%0.17SC..Hα-helixtrans-63.6-42.917700000112P94 I95 Y101 Q102 V211P94-A98 WeakPolarHBondContact O-CB 3.48Å; P94-A98 PolarHBondContact O-N 3.3Å; I95-A98 PolarHBondContact O-N 3.49Å; A98-Y101 PolarHBondContact O-N 3.41Å; A98-Q102 VanDerWaalsContact O-CB 3.32Å; A98-Q102 WeakPolarHBondContact O-CB 3.35Å; A98-Q102 PolarHBondContact O-N 3.19Å; A98-V211 HydrophobicContact CB-CG1 4.42Å; A98-V211 HydrophobicContact CB-CG2 4.09Å
99L90.4Very high85.3Confident19 Ų1928.1 Ų28.110%0.09915%0.15CC..Hα-helixtrans-64.8-42.1176.5-76.4171.9000112.3T60 L61 I77 I95 L96 Q102 S103T60-L99 HydrophobicContact CG2-CD1 4.07Å; L61-L99 HydrophobicContact CD2-CD1 4Å; L61-L99 HydrophobicContact CD2-CD2 3.96Å; L61-L99 HydrophobicContact CD2-CG 4.23Å; I77-L99 HydrophobicContact CD1-CB 3.87Å; I95-L99 HydrophobicContact CG2-CD1 3.97Å; I95-L99 HydrophobicContact CG2-CG 4.39Å; I95-L99 WeakPolarHBondContact O-CB 3.24Å; I95-L99 VanDerWaalsContact O-CG 3.3Å; I95-L99 WeakPolarHBondContact O-CG 3.43Å; I95-L99 PolarHBondContact O-N 3.11Å; L96-L99 PolarHBondContact O-N 3.47Å; L99-Q102 PolarHBondContact O-N 2.97Å; L99-S103 VanDerWaalsContact O-CB 3.3Å; L99-S103 WeakPolarHBondContact O-CB 3.49Å; L99-S103 PolarHBondContact O-N 3.21Å; L99-S103 PolarHBondContact O-OG 3.36Å
100A92.9Very high86Confident0 Ų028.7 Ų28.70%016%0.156CC..Hα-helixtrans-61.6-47.9175.600000110.8I77 L81 L96 L97 S103 L104 L194I77-A100 HydrophobicContact CB-CB 4.2Å; I77-A100 HydrophobicContact CG2-CB 3.72Å; L81-A100 HydrophobicContact CD1-CB 4.49Å; L96-A100 WeakPolarHBondContact O-CB 3.45Å; L96-A100 PolarHBondContact O-N 2.89Å; L97-A100 PolarHBondContact O-N 2.93Å; A100-S103 PolarHBondContact O-N 2.85Å; A100-L104 VanDerWaalsContact O-CG 3.27Å; A100-L104 WeakPolarHBondContact O-CG 3.3Å; A100-L104 PolarHBondContact O-N 2.83Å; A100-L194 HydrophobicContact CB-CD1 3.71Å; A100-L194 HydrophobicContact CB-CD2 4.49Å
101Y94Very high86.6Confident24 Ų2426.3 Ų26.39%0.09414%0.139CC..Hα-helixtrans-57.7-51.5175.8178.5-101.2000111.4L97 A98 S103 L104 I105 I190 L194 K214 I215L97-Y101 WeakPolarHBondContact O-CB 3.42Å; L97-Y101 PolarHBondContact O-N 3.35Å; A98-Y101 PolarHBondContact O-N 3.41Å; Y101-S103 VanDerWaalsContact C-N 3.33Å; Y101-S103 PolarHBondContact O-N 3.47Å; Y101-L104 PolarHBondContact O-N 3.26Å; Y101-L104 VanDerWaalsContact O-N 3.17Å; Y101-I105 HydrophobicContact CD1-CG1 4.23Å; Y101-I105 HydrophobicContact CD2-CG1 4.39Å; Y101-I105 HydrophobicContact CE1-CD1 4.46Å; Y101-I105 HydrophobicContact CE1-CG1 3.66Å; Y101-I105 HydrophobicContact CE2-CD1 3.99Å; Y101-I105 HydrophobicContact CE2-CG1 3.89Å; Y101-I105 VanDerWaalsContact CZ-CG1 3.45Å; Y101-I105 WeakPolarHBondContact O-CG1 3.24Å; Y101-I105 PolarHBondContact O-N 3.12Å; Y101-I105 WeakPolarHBondContact OH-CD1 3.31Å; Y101-I190 HydrophobicContact CD2-CD1 4.23Å; Y101-I190 HydrophobicContact CE2-CD1 4.09Å; Y101-L194 HydrophobicContact CD2-CD2 4.28Å; Y101-K214 HydrophobicContact CE1-CB 3.93Å; Y101-K214 HydrophobicContact CE1-CD 3.93Å; Y101-K214 HydrophobicContact CE2-CB 4.16Å; Y101-K214 WeakPolarHBondContact OH-CB 3.49Å; Y101-I215 HydrophobicContact CD2-CB 4.49Å; Y101-I215 HydrophobicContact CD2-CD1 4.44Å; Y101-I215 HydrophobicContact CD2-CG1 3.44Å; Y101-I215 VanDerWaalsContact CD2-CG1 3.44Å; Y101-I215 HydrophobicContact CE2-CG1 4.07Å; Y101-I215 HydrophobicContact CG-CG1 4Å
102Q92.4Very high86.4Confident89 Ų8922.2 Ų22.242%0.41612%0.12SC..Hα-helixtrans-60-43.1-179-172.659.742.400111.7A98 L99 L104 I105 D106A98-Q102 VanDerWaalsContact O-CB 3.32Å; A98-Q102 WeakPolarHBondContact O-CB 3.35Å; A98-Q102 PolarHBondContact O-N 3.19Å; L99-Q102 PolarHBondContact O-N 2.97Å; Q102-L104 VanDerWaalsContact C-N 3.32Å; Q102-L104 PolarHBondContact O-N 3.32Å; Q102-I105 PolarHBondContact O-N 3.22Å; Q102-D106 VanDerWaalsContact NE2-CG 3.33Å; Q102-D106 PolarHBondContact NE2-OD1 3.04Å; Q102-D106 PolarHBondContact NE2-OD2 3.3Å; Q102-D106 WeakPolarHBondContact O-CB 3.26Å; Q102-D106 VanDerWaalsContact O-CG 3.22Å; Q102-D106 PolarHBondContact O-N 3.37Å
103S92.5Very high85.9Confident1 Ų128.8 Ų28.81%0.00715%0.148CC..Hα-helixtrans-62.8-38.6177.8-540000112E70 R73 L99 A100 Y101 G107E70-S103 WeakPolarHBondContact CB-O 3.38Å; R73-S103 VanDerWaalsContact CD-OG 3.24Å; R73-S103 WeakPolarHBondContact CD-OG 3.33Å; L99-S103 VanDerWaalsContact O-CB 3.3Å; L99-S103 WeakPolarHBondContact O-CB 3.49Å; L99-S103 PolarHBondContact O-N 3.21Å; L99-S103 PolarHBondContact O-OG 3.36Å; A100-S103 PolarHBondContact O-N 2.85Å; Y101-S103 VanDerWaalsContact C-N 3.33Å; Y101-S103 PolarHBondContact O-N 3.47Å; S103-G107 PolarHBondContact O-N 3Å
104L93.4Very high85Confident0 Ų031.9 Ų31.90%017%0.17CC..Hα-helixtrans-67.9-39.7176.4-67.6168.5000111.7A74 I78 A100 Y101 Q102 E108 Y186 K189 I190 L194A74-L104 HydrophobicContact CB-CD2 3.47Å; A74-L104 VanDerWaalsContact CB-CD2 3.47Å; A74-L104 HydrophobicContact CB-CG 3.67Å; I78-L104 HydrophobicContact CD1-CD1 4.38Å; A100-L104 VanDerWaalsContact O-CG 3.27Å; A100-L104 WeakPolarHBondContact O-CG 3.3Å; A100-L104 PolarHBondContact O-N 2.83Å; Y101-L104 PolarHBondContact O-N 3.26Å; Y101-L104 VanDerWaalsContact O-N 3.17Å; Q102-L104 VanDerWaalsContact C-N 3.32Å; Q102-L104 PolarHBondContact O-N 3.32Å; L104-E108 PolarHBondContact O-N 3.34Å; L104-Y186 HydrophobicContact CD2-CD1 3.94Å; L104-Y186 WeakPolarHBondContact O-CB 3.31Å; L104-Y186 WeakPolarHBondContact O-CD1 3.27Å; L104-K189 HydrophobicContact CD1-CB 4.39Å; L104-K189 HydrophobicContact CD2-CB 4.17Å; L104-K189 HydrophobicContact CD2-CD 4.29Å; L104-I190 HydrophobicContact CB-CD1 4.02Å; L104-I190 HydrophobicContact CB-CG1 4.06Å; L104-I190 HydrophobicContact CD1-CD1 4.38Å; L104-I190 HydrophobicContact CD1-CG1 3.5Å; L104-I190 HydrophobicContact CG-CG1 4.38Å; L104-L194 HydrophobicContact CD1-CD2 4.07Å
105I91.2Very high83.6Confident16 Ų1633.9 Ų33.98%0.08218%0.179CC..Hα-helixtrans-67.7-45.5175.9-64.1-56.9000111.2Y101 Q102 G107 E108 L109 I190Y101-I105 HydrophobicContact CD1-CG1 4.23Å; Y101-I105 HydrophobicContact CD2-CG1 4.39Å; Y101-I105 HydrophobicContact CE1-CD1 4.46Å; Y101-I105 HydrophobicContact CE1-CG1 3.66Å; Y101-I105 HydrophobicContact CE2-CD1 3.99Å; Y101-I105 HydrophobicContact CE2-CG1 3.89Å; Y101-I105 VanDerWaalsContact CZ-CG1 3.45Å; Y101-I105 WeakPolarHBondContact O-CG1 3.24Å; Y101-I105 PolarHBondContact O-N 3.12Å; Y101-I105 WeakPolarHBondContact OH-CD1 3.31Å; Q102-I105 PolarHBondContact O-N 3.22Å; I105-G107 VanDerWaalsContact C-N 3.29Å; I105-G107 PolarHBondContact O-N 3.13Å; I105-E108 WeakPolarHBondContact O-CB 3.43Å; I105-E108 PolarHBondContact O-N 2.97Å; I105-L109 HydrophobicContact CG2-CD1 4.42Å; I105-L109 WeakPolarHBondContact O-CG 3.39Å; I105-L109 PolarHBondContact O-N 3.46Å; I105-I190 HydrophobicContact CD1-CD1 4.07Å
106D88.2Confident81.6Confident49 Ų4939.9 Ų39.926%0.26220%0.2SC..Hα-helixtrans-61.9-40.8177.4-68.2-22.7000111E70 Q102 L109 T110E70-D106 HydrophobicContact CG-CB 4.17Å; Q102-D106 VanDerWaalsContact NE2-CG 3.33Å; Q102-D106 PolarHBondContact NE2-OD1 3.04Å; Q102-D106 PolarHBondContact NE2-OD2 3.3Å; Q102-D106 WeakPolarHBondContact O-CB 3.26Å; Q102-D106 VanDerWaalsContact O-CG 3.22Å; Q102-D106 PolarHBondContact O-N 3.37Å; D106-L109 WeakPolarHBondContact O-CB 3.27Å; D106-L109 PolarHBondContact O-N 3.38Å; D106-T110 WeakPolarHBondContact O-CG2 3.46Å; D106-T110 PolarHBondContact O-N 3.37Å; D106-T110 PolarHBondContact O-OG1 2.97Å
107G86.7Confident79.2Confident0 Ų045.3 Ų45.30%023%0.227CC..Hα-helixtrans-62.5-40.6174.600000113.6S103 I105 L109 T110 M111 Y186S103-G107 PolarHBondContact O-N 3Å; I105-G107 VanDerWaalsContact C-N 3.29Å; I105-G107 PolarHBondContact O-N 3.13Å; G107-L109 VanDerWaalsContact C-N 3.33Å; G107-L109 PolarHBondContact O-N 3.03Å; G107-T110 WeakPolarHBondContact CA-OG1 3.44Å; G107-T110 PolarHBondContact O-N 3.36Å; G107-T110 PolarHBondContact O-OG1 3.47Å; G107-M111 WeakPolarHBondContact O-CB 3.46Å; G107-M111 PolarHBondContact O-N 3.07Å; G107-Y186 WeakPolarHBondContact O-CE2 3.37Å; G107-Y186 PolarHBondContact O-OH 3.45Å
108E85.9Confident76.7Confident11 Ų1149 Ų495%0.05125%0.254CS..Hα-helixtrans-59.1-46.1171.7178.9176.8-171.200110.7L104 I105 T110 M111 H112 N184 Y186 R187L104-E108 PolarHBondContact O-N 3.34Å; I105-E108 WeakPolarHBondContact O-CB 3.43Å; I105-E108 PolarHBondContact O-N 2.97Å; E108-T110 PolarHBondContact O-N 3.47Å; E108-M111 PolarHBondContact O-N 3.18Å; E108-H112 PolarHBondContact O-CD2 2.83Å; E108-H112 PolarHBondContact O-N 2.94Å; E108-N184 PolarHBondContact OE1-ND2 3.49Å; E108-Y186 HydrophobicContact CB-CD2 4.14Å; E108-Y186 HydrophobicContact CB-CG 4.29Å; E108-R187 IonicContact OE1-CZ 3.71Å; E108-R187 IonicContact OE1-NE 2.74Å; E108-R187 PolarHBondContact OE1-NE 2.86Å; E108-R187 IonicContact OE1-NH2 3.82Å; E108-R187 PolarHBondContact OE1-NH2 3.47Å; E108-R187 IonicContact OE2-NE 2.68Å; E108-R187 PolarHBondContact OE2-NE 3.49Å; E108-R187 IonicContact OE2-NH2 2.85Å
109L83.4Confident73.9Confident48 Ų4851.4 Ų51.425%0.25127%0.273SS..Hα-helixtrans-62.4-40.3178.4-65.6176.4000113I105 D106 G107 H112 K113 I178I105-L109 HydrophobicContact CG2-CD1 4.42Å; I105-L109 WeakPolarHBondContact O-CG 3.39Å; I105-L109 PolarHBondContact O-N 3.46Å; D106-L109 WeakPolarHBondContact O-CB 3.27Å; D106-L109 PolarHBondContact O-N 3.38Å; G107-L109 VanDerWaalsContact C-N 3.33Å; G107-L109 PolarHBondContact O-N 3.03Å; L109-H112 PolarHBondContact O-N 3.16Å; L109-K113 WeakPolarHBondContact O-CG 3.49Å; L109-K113 PolarHBondContact O-N 2.71Å; L109-I178 HydrophobicContact CD2-CD1 3.66Å; L109-I178 HydrophobicContact CD2-CG2 3.95Å
110T81.9Confident71Confident44 Ų4455.3 Ų55.327%0.2730%0.298SS..Hα-helixtrans-70.5-38.4178.456.60000112D106 G107 E108 H112 K113 S114D106-T110 WeakPolarHBondContact O-CG2 3.46Å; D106-T110 PolarHBondContact O-N 3.37Å; D106-T110 PolarHBondContact O-OG1 2.97Å; G107-T110 WeakPolarHBondContact CA-OG1 3.44Å; G107-T110 PolarHBondContact O-N 3.36Å; G107-T110 PolarHBondContact O-OG1 3.47Å; E108-T110 PolarHBondContact O-N 3.47Å; T110-H112 VanDerWaalsContact C-N 3.27Å; T110-H112 PolarHBondContact O-N 3.14Å; T110-K113 PolarHBondContact O-N 2.94Å; T110-S114 PolarHBondContact O-N 3.49Å; T110-S114 PolarHBondContact O-OG 2.9Å
111M76.1Confident68.1Low27 Ų2758.8 Ų58.813%0.13332%0.323CS..Hα-helixtrans-56-43.5173.3-165.3-175.879.300111.2G107 E108 S114 N115 N184 Y186 E237G107-M111 WeakPolarHBondContact O-CB 3.46Å; G107-M111 PolarHBondContact O-N 3.07Å; E108-M111 PolarHBondContact O-N 3.18Å; M111-S114 PolarHBondContact O-N 2.94Å; M111-N115 PolarHBondContact O-N 3.44Å; M111-N115 VanDerWaalsContact O-N 3.14Å; M111-N184 HydrophobicContact CE-CB 3.75Å; M111-N184 HydrophobicContact SD-CB 4.47Å; M111-Y186 HydrophobicContact CB-CE2 4.07Å; M111-Y186 HydrophobicContact CG-CE2 4.48Å; M111-Y186 HydrophobicContact SD-CD2 4.4Å; M111-Y186 HydrophobicContact SD-CE2 3.89Å; M111-E237 HydrophobicContact CE-CB 4.27Å; M111-E237 HydrophobicContact CE-CG 3.92Å; M111-E237 WeakPolarHBondContact CE-OE2 3.47Å; M111-E237 HydrophobicContact SD-CG 3.96Å
112H67.4Low65Low26 Ų2661.1 Ų61.112%0.1235%0.354CS..Hα-helixtrans-68.1-38.6177.9-67.9-45.1000114E108 L109 T110 S114 N115 R116 G180 S181E108-H112 PolarHBondContact O-CD2 2.83Å; E108-H112 PolarHBondContact O-N 2.94Å; L109-H112 PolarHBondContact O-N 3.16Å; T110-H112 VanDerWaalsContact C-N 3.27Å; T110-H112 PolarHBondContact O-N 3.14Å; H112-S114 VanDerWaalsContact C-N 3.32Å; H112-S114 PolarHBondContact O-N 2.92Å; H112-N115 PolarHBondContact O-N 2.97Å; H112-R116 PolarHBondContact O-N 3.43Å; H112-R116 VanDerWaalsContact O-N 3.13Å; H112-G180 WeakPolarHBondContact CE1-CA 3.29Å; H112-G180 WeakPolarHBondContact NE2-CA 3.25Å; H112-S181 PolarHBondContact CE1-N 2.91Å; H112-S181 VanDerWaalsContact CE1-N 3.31Å
113K69.4Low62Low142 Ų14263.8 Ų63.862%0.61737%0.369SS*.Hα-helixtrans-61.7-42.3175.2-73.1176.6-177.21760111.3L109 T110 R116 I117L109-K113 WeakPolarHBondContact O-CG 3.49Å; L109-K113 PolarHBondContact O-N 2.71Å; T110-K113 PolarHBondContact O-N 2.94Å; K113-R116 PolarHBondContact O-N 3.15Å; K113-I117 WeakPolarHBondContact O-CG1 3.41Å; K113-I117 PolarHBondContact O-N 2.76Å
114S61.6Low58.7Low70 Ų7071 Ų7149%0.4941%0.405SS..Hα-helixtrans-62.1-45.4177.4-62.30000112.1T110 M111 H112 R116 I117 S118T110-S114 PolarHBondContact O-N 3.49Å; T110-S114 PolarHBondContact O-OG 2.9Å; M111-S114 PolarHBondContact O-N 2.94Å; H112-S114 VanDerWaalsContact C-N 3.32Å; H112-S114 PolarHBondContact O-N 2.92Å; S114-R116 VanDerWaalsContact C-N 3.33Å; S114-R116 PolarHBondContact O-N 2.96Å; S114-I117 PolarHBondContact O-N 3.29Å; S114-S118 PolarHBondContact O-N 3.46Å; S114-S118 PolarHBondContact O-OG 3.12Å
115N54.4Low55.5Low73 Ų7376.7 Ų76.739%0.3944%0.443SS..Hα-helixtrans-64.5-35.1179.3-73.9-9.8000112.8M111 H112 S118 A119 E237M111-N115 PolarHBondContact O-N 3.44Å; M111-N115 VanDerWaalsContact O-N 3.14Å; H112-N115 PolarHBondContact O-N 2.97Å; N115-S118 PolarHBondContact O-N 3.25Å; N115-A119 PolarHBondContact O-N 3.12Å; N115-A119 VanDerWaalsContact O-N 3.09Å; N115-E237 PolarHBondContact ND2-OE1 3.03Å
116R43.7Very low52.4Low160 Ų16083.3 Ų83.360%0.60447%0.473SS*.Hα-helixtrans-65.5-39.3175-76.9-171.4-178-175.73.3112.6H112 K113 S114 S118 A119 T120 D177H112-R116 PolarHBondContact O-N 3.43Å; H112-R116 VanDerWaalsContact O-N 3.13Å; K113-R116 PolarHBondContact O-N 3.15Å; S114-R116 VanDerWaalsContact C-N 3.33Å; S114-R116 PolarHBondContact O-N 2.96Å; R116-S118 VanDerWaalsContact C-N 3.32Å; R116-S118 PolarHBondContact O-N 3.37Å; R116-A119 PolarHBondContact O-N 3.29Å; R116-T120 PolarHBondContact O-N 2.83Å; R116-T120 PolarHBondContact O-OG1 2.66Å; R116-D177 PolarHBondContact NH2-O 3.43Å; R116-D177 VanDerWaalsContact NH2-O 3.09Å
117I38.9Very low49.4Very low116 Ų11686.6 Ų86.660%0.59550%0.501SS*.Hα-helixtrans-65.3-38.8178.6-64.1164.5000110.4K113 S114 T120 S121K113-I117 WeakPolarHBondContact O-CG1 3.41Å; K113-I117 PolarHBondContact O-N 2.76Å; S114-I117 PolarHBondContact O-N 3.29Å; I117-T120 PolarHBondContact O-OG1 3.08Å; I117-S121 VanDerWaalsContact O-CB 3.3Å; I117-S121 WeakPolarHBondContact O-CB 3.19Å; I117-S121 PolarHBondContact O-N 3.2Å; I117-S121 PolarHBondContact O-OG 3.45Å
118S35.5Very low46.5Very low82 Ų8292.2 Ų92.257%0.57354%0.54SS*.Hα-helixtrans-65.5-40.6174.5-58.60000112.3S114 N115 R116 S121S114-S118 PolarHBondContact O-N 3.46Å; S114-S118 PolarHBondContact O-OG 3.12Å; N115-S118 PolarHBondContact O-N 3.25Å; R116-S118 VanDerWaalsContact C-N 3.32Å; R116-S118 PolarHBondContact O-N 3.37Å; S118-S121 PolarHBondContact O-N 3.35Å; S118-S121 PolarHBondContact O-OG 3.14Å
119A31.6Very low43.6Very low83 Ų8396.9 Ų96.969%0.68657%0.573SS**Hα-helixtrans-69.2-36.217900000113.6N115 R116N115-A119 PolarHBondContact O-N 3.12Å; N115-A119 VanDerWaalsContact O-N 3.09Å; R116-A119 PolarHBondContact O-N 3.29Å
120T30.9Very low40.8Very low101 Ų101100.3 Ų100.362%0.6260%0.596SS**Hα-helixtrans-79.1-23.9176.445.20000113.4R116 I117 G122 I123R116-T120 PolarHBondContact O-N 2.83Å; R116-T120 PolarHBondContact O-OG1 2.66Å; I117-T120 PolarHBondContact O-OG1 3.08Å; T120-G122 PolarHBondContact O-N 3.45Å; T120-G122 VanDerWaalsContact O-N 3.11Å; T120-I123 PolarHBondContact O-N 3.05Å
121S30.2Very low38.1Very low73 Ų73106.4 Ų106.451%0.5163%0.627SS.*THydrogen-bonded Turntrans-70-2.3176.471.30000115I117 S118 I123I117-S121 VanDerWaalsContact O-CB 3.3Å; I117-S121 WeakPolarHBondContact O-CB 3.19Å; I117-S121 PolarHBondContact O-N 3.2Å; I117-S121 PolarHBondContact O-OG 3.45Å; S118-S121 PolarHBondContact O-N 3.35Å; S118-S121 PolarHBondContact O-OG 3.14Å; S121-I123 PolarHBondContact O-N 3.37Å
122G30.4Very low35.7Very low73 Ų73112.4 Ų112.475%0.75365%0.653SS**THydrogen-bonded Turntrans-63-12.4165.700000113.9T120 M124T120-G122 PolarHBondContact O-N 3.45Å; T120-G122 VanDerWaalsContact O-N 3.11Å; G122-M124 PolarHBondContact O-N 3.21Å
123I28.3Very low33.6Very low145 Ų145121.3 Ų121.374%0.74469%0.686SS**SBendtrans-94.792.8171.3-55.7176.7000108.6T120 S121T120-I123 PolarHBondContact O-N 3.05Å; S121-I123 PolarHBondContact O-N 3.37Å
124M24.5Very low31.5Very low153 Ų153117.8 Ų117.875%0.75469%0.69SS**  trans3090.8159.6-76.4-173.9131.800116.3G122G122-M124 PolarHBondContact O-N 3.21Å
125C25.3Very low29.7Very low119 Ų119120.9 Ų120.980%0.80471%0.707SS**  trans-110.295.2153.4-80.60000108.6S127C125-S127 PolarHBondContact O-N 2.95Å
126H26.1Very low28.3Very low154 Ų154124.7 Ų124.771%0.71373%0.726SS**  trans-52.3119.8162.7-83-75.8000108.6S128H126-S128 PolarHBondContact O-N 3.41Å
127S25.3Very low27.7Very low119 Ų119124.9 Ų124.983%0.83274%0.737SS**  trans-48.2117.3168.252.90000111.1C125C125-S127 PolarHBondContact O-N 2.95Å
128S25.3Very low27Very low118 Ų118126.9 Ų126.983%0.82574%0.742SS**  trans-125.2134.4151.560.80000108.6H126H126-S128 PolarHBondContact O-N 3.41Å
129S25.7Very low26.5Very low108 Ų108129.2 Ų129.276%0.75575%0.748SS**  trans-78.5130.6-15951.70000113.3D131S129-D131 PolarHBondContact O-N 2.85Å
130V24.3Very low26.3Very low121 Ų121133.3 Ų133.373%0.73375%0.753SS**  trans5.296.4140-173.50000114.2K132V130-K132 HydrophobicContact CG1-CG 4.15Å
131D25.6Very low26.1Very low172 Ų172135.5 Ų135.592%0.9276%0.761SS**  trans-96.9133.3152.6-96.1-31.9000109.8S129S129-D131 PolarHBondContact O-N 2.85Å
132K24.9Very low26.3Very low153 Ų153139 Ų13967%0.66578%0.778SS**  trans-108.1145.3-160.1-114.2174.9174.4-177.90108.5V130V130-K132 HydrophobicContact CG1-CG 4.15Å
133Y24.7Very low26.4Very low212 Ų212143 Ų14383%0.83178%0.783SS**  trans83.2122.7155.2-70.1-71.5000121
134G23.7Very low26.7Very low68 Ų68145.2 Ų145.270%0.70179%0.79SS**  trans85.8131142.500000113.5
135T25.3Very low27Very low135 Ų135141.8 Ų141.883%0.82879%0.794SS**  cis-167.6133.845-33.30000108.9I137T135-I137 PolarHBondContact O-N 3.27Å
136L24.7Very low27.4Very low154 Ų154143.1 Ų143.181%0.80679%0.788SS**  trans-55.8120.5160.5-127.1118.3000109.5
137I29.5Very low27.7Very low163 Ų163143.3 Ų143.384%0.83679%0.79SS**  trans-135.1123.7152.5-60.4-177.2000108.5T135T135-I137 PolarHBondContact O-N 3.27Å
138K24.6Very low28Very low159 Ų159141.2 Ų141.269%0.69179%0.787SS**  trans-81.1156-177.4-101.7179.8172.4-178.50112.1
139N25Very low28.2Very low131 Ų131144.5 Ų144.570%0.70179%0.789SS**  trans71.5124.9142.6-62.73.3000119.2
140E27.7Very low28.7Very low169 Ų169146 Ų14679%0.7979%0.793SS**  176.1109.8102.3-91.8177.3176.400108.5
141N27.7Very low28.8Very low146 Ų146148.4 Ų148.478%0.78180%0.799SS**  66.194.6107.8-68.7-10000114.7
142V33Very low28.8Very low146 Ų146143.5 Ų143.589%0.88579%0.789SS**  trans-140.694.4145.1-172.20000109.2
143D32.9Very low28.9Very low157 Ų157141.7 Ų141.784%0.8479%0.794SS**  trans38.5107.1140.5-122.4-8.6000119.6G145D143-G145 PolarHBondContact O-N 2.72Å
144E33.9Very low29Very low193 Ų193139.3 Ų139.390%0.90280%0.796SS**  trans-75106165.4-66.8-178.516200109.4E146E144-E146 PolarHBondContact O-N 3.41Å
145G32.4Very low29.3Very low81 Ų81143.3 Ų143.384%0.83580%0.801SS**  trans-79110.2168.300000110.7D143D143-G145 PolarHBondContact O-N 2.72Å
146E31.9Very low29.4Very low146 Ų146144.2 Ų144.268%0.68280%0.796SS**  trans-68.4129.3-178.7-152.1177.7-169.300113R22 E144R22-E146 IonicContact NH1-OE1 3.5Å; R22-E146 PolarHBondContact NH1-OE1 3.05Å; E144-E146 PolarHBondContact O-N 3.41Å
147E33.5Very low29.5Very low159 Ų159144.1 Ų144.174%0.74380%0.796SS**  trans40117.7141.9-57.7-177.6173.100121.4R22R22-E147 IonicContact NH1-OE2 2.86Å
148G31.2Very low29.6Very low75 Ų75144.5 Ų144.577%0.77380%0.795SS**  trans-146.178.515900000110.8V150G148-V150 PolarHBondContact O-N 3.12Å
149E28.9Very low29.9Very low187 Ų187145.8 Ų145.887%0.87481%0.808SS**  trans-72.3112.8168.9-69.3-173.6164.700109.7
150V37.4Very low30.1Very low139 Ų139143.7 Ų143.784%0.84281%0.809SS**  trans-111.6101.6164.9-178.10000107.5G148 G152G148-V150 PolarHBondContact O-N 3.12Å; V150-G152 PolarHBondContact O-N 2.96Å
151M25.1Very low30.3Very low171 Ų171142.5 Ų142.584%0.84281%0.808SS**  trans-69108.1170.9-71.2-85.2-7600109.4
152G27.1Very low30.2Very low70 Ų70143 Ų14372%0.72281%0.811SS**  trans-138.790.1167.300000108.5V150 D154V150-G152 PolarHBondContact O-N 2.96Å; G152-D154 PolarHBondContact O-N 2.7Å
153C25.7Very low30Very low114 Ų114143.1 Ų143.177%0.7781%0.806SS**  trans-68.5112.1162-61.30000107.4
154D28.3Very low29.7Very low162 Ų162141.9 Ų141.987%0.86680%0.799SS**  trans-157.8125.6140.4-91.4-27.8000107G152G152-D154 PolarHBondContact O-N 2.7Å
155D28.9Very low29.3Very low153 Ų153139.7 Ų139.782%0.81879%0.793SS**  trans-66.3158.6-173.1-61.4-62.5000112.8
156E28.6Very low29.4Very low154 Ų154141.8 Ų141.872%0.7279%0.792SS**  trans78.987.9156.5-46.1-156.5164.500117.2R311E156-R311 IonicContact OE2-NH1 3.76Å
157D26.5Very low29Very low152 Ų152140.4 Ų140.481%0.81379%0.794SS**  trans-132.3118.7147.7-82.2-39.1000111.3
158E31.2Very low28.8Very low171 Ų171138.3 Ų138.380%0.79980%0.797SS**  trans64.895.6137.1-60-176.3163.200119.4
159L31.3Very low28.5Very low186 Ų186143.4 Ų143.497%0.97480%0.8SS**  trans-126.7111.9135.8-73.3175.6000109.2
160A29.8Very low28.6Very low86 Ų86143.1 Ų143.171%0.71180%0.803SS**  trans-71.7148.5-174.800000112.7
161D30.1Very low28Very low145 Ų145139.5 Ų139.578%0.77579%0.794SS**  trans22.1129.7135.4-57.7-21.9000117.4
162D27.3Very low28.1Very low157 Ų157138.8 Ų138.884%0.8479%0.794SS**  -162.9149.951.4-105.7-39.6000111.9
163L28.1Very low28.2Very low148 Ų148138.8 Ų138.878%0.77578%0.783SS**  trans-68159.3167-106.787.7000111.9
164D25.5Very low28.6Very low131 Ų131137.6 Ų137.670%0.70177%0.773SS**  trans85.880.5157.5-56.9-24.3000118.5
165N25.5Very low28.7Very low147 Ų147139 Ų13979%0.78677%0.767SS**  178.2134.3110.6-92.2-47.1000111.1T167N165-T167 PolarHBondContact O-N 2.89Å; N165-T167 VanDerWaalsContact O-N 3.09Å
166P36.1Very low28.9Very low125 Ų125135.9 Ų135.981%0.81275%0.754SS**  trans-83.693-177.134-30.3000109.9
167T22.9Very low29Very low116 Ų116134.2 Ų134.271%0.71275%0.749SS**  trans-134.591.9160.438.40000108.8N165 E169N165-T167 PolarHBondContact O-N 2.89Å; N165-T167 VanDerWaalsContact O-N 3.09Å; T167-E169 PolarHBondContact O-N 3.22Å
168S29.7Very low29.4Very low116 Ų116130.3 Ų130.381%0.81173%0.728SS**  trans9.288.3149.458.60000117.1
169E24.4Very low29.8Very low181 Ų181130.3 Ų130.385%0.84672%0.722SS**  trans-135.194151.1-74.5-167.116700108.7T167 G171T167-E169 PolarHBondContact O-N 3.22Å; E169-G171 PolarHBondContact O-N 3.34Å
170I31.3Very low30.6Very low181 Ų181121.7 Ų121.793%0.92868%0.678SS**  trans19.495.5139.5-55.4166.7000113.6
171G24.5Very low32.1Very low64 Ų64119.9 Ų119.966%0.6666%0.66SS**  trans-148.391.2173.600000110.8E169E169-G171 PolarHBondContact O-N 3.34Å
172D27.3Very low34Very low156 Ų156113.4 Ų113.483%0.83463%0.626SS**SBendtrans58.283.9142.9-57.5-25.1000120.5
173S28.3Very low36.7Very low70 Ų70106.2 Ų106.249%0.4959%0.588SS.*  -150.3106.7118.81090000109.1W175 T176S173-W175 PolarHBondContact O-N 2.87Å; S173-W175 VanDerWaalsContact O-N 3.15Å; S173-T176 PolarHBondContact O-OG1 3.34Å
174P34.8Very low39.6Very low88 Ų8899.2 Ų99.257%0.57155%0.551SS**THydrogen-bonded Turntrans-77.88.3-177.829.5-30.3000113.2I178P174-I178 WeakPolarHBondContact O-CD1 3.44Å; P174-I178 WeakPolarHBondContact O-CG1 3.49Å
175W31.7Very low42.6Very low191 Ų19193.3 Ų93.372%0.72352%0.52SS*.THydrogen-bonded Turntrans-76.5-21.9178.8-66.591.9000113.1S173S173-W175 PolarHBondContact O-N 2.87Å; S173-W175 VanDerWaalsContact O-N 3.15Å
176T31.8Very low45.8Very low89 Ų8987.4 Ų87.455%0.54649%0.486SS..SBendtrans-90.9-21.5-175.337.90000114.9S173 Y179S173-T176 PolarHBondContact O-OG1 3.34Å; T176-Y179 WeakPolarHBondContact O-CE2 3.46Å
177D30.8Very low48.4Very low118 Ų11883.2 Ų83.263%0.63145%0.454SS*.SBendtrans-97.35.7-178.8-78.6-11.7000114.1R116 Y179R116-D177 PolarHBondContact NH2-O 3.43Å; R116-D177 VanDerWaalsContact NH2-O 3.09Å; D177-Y179 VanDerWaalsContact C-N 3.35Å; D177-Y179 PolarHBondContact O-N 2.83Å
178I34.4Very low51.7Low70 Ų7077.8 Ų77.836%0.35942%0.421SS..  trans-100.168.6171.8-50.7164000106.5L109 P174 G180L109-I178 HydrophobicContact CD2-CD1 3.66Å; L109-I178 HydrophobicContact CD2-CG2 3.95Å; P174-I178 WeakPolarHBondContact O-CD1 3.44Å; P174-I178 WeakPolarHBondContact O-CG1 3.49Å; I178-G180 PolarHBondContact O-N 3.47Å
179Y39.1Very low54.7Low171 Ų17172.9 Ų72.967%0.67139%0.385SS*.  trans-67.170.7160.2-71.9-85.3000107.8T176 D177T176-Y179 WeakPolarHBondContact O-CE2 3.46Å; D177-Y179 VanDerWaalsContact C-N 3.35Å; D177-Y179 PolarHBondContact O-N 2.83Å
180G49Very low58.1Low6 Ų664.2 Ų64.26%0.06235%0.345CS..  trans-67.5132.5170.800000108.5H112 I178 V182H112-G180 WeakPolarHBondContact CE1-CA 3.29Å; H112-G180 WeakPolarHBondContact NE2-CA 3.25Å; I178-G180 PolarHBondContact O-N 3.47Å; G180-V182 PolarHBondContact O-N 3.43Å
181S61.6Low61.1Low48 Ų4855.6 Ų55.634%0.33630%0.3SS..  trans-44.6103.3170.51690000108.5H112 L183 N184H112-S181 PolarHBondContact CE1-N 2.91Å; H112-S181 VanDerWaalsContact CE1-N 3.31Å; S181-L183 PolarHBondContact O-N 3.28Å; S181-L183 PolarHBondContact OG-O 2.94Å; S181-N184 PolarHBondContact O-ND2 3.34Å
182V70.9Confident64.4Low8 Ų853.3 Ų53.35%0.04827%0.272CS..SBendtrans-56.4-21.3179.2173.40000110.9G180 N184 R187 N221 F222 T225 H427G180-V182 PolarHBondContact O-N 3.43Å; V182-N184 PolarHBondContact O-N 2.94Å; V182-R187 WeakPolarHBondContact O-CD 3.19Å; V182-N221 WeakPolarHBondContact CG1-OD1 3.44Å; V182-F222 VanDerWaalsContact O-CD2 3.31Å; V182-F222 WeakPolarHBondContact O-CD2 3.33Å; V182-T225 HydrophobicContact CB-CG2 4.17Å; V182-T225 HydrophobicContact CG1-CG2 4.04Å; V182-H427 HydrophobicContact CB-CB 4.49Å; V182-H427 HydrophobicContact CG2-CB 3.7Å; V182-H427 VanDerWaalsContact CG2-CD2 3.47Å; V182-H427 WeakPolarHBondContact CG2-CD2 3.45Å; V182-H427 VanDerWaalsContact CG2-CG 3.45Å
183L83.7Confident67.5Low7 Ų747.7 Ų47.74%0.03724%0.241CC..SBendtrans-98.471.7-179.2-57.5176.7000110.7S181 F222 T225 Y226 P234 I236 E237S181-L183 PolarHBondContact O-N 3.28Å; S181-L183 PolarHBondContact OG-O 2.94Å; L183-F222 HydrophobicContact CD2-CD2 4.28Å; L183-F222 HydrophobicContact CD2-CE2 4.1Å; L183-T225 HydrophobicContact CD1-CG2 4.41Å; L183-T225 HydrophobicContact CD2-CG2 4.22Å; L183-T225 HydrophobicContact CG-CG2 4.21Å; L183-Y226 HydrophobicContact CD2-CD2 4.08Å; L183-Y226 HydrophobicContact CD2-CG 4.49Å; L183-P234 HydrophobicContact CD1-CB 3.54Å; L183-P234 HydrophobicContact CD1-CG 3.49Å; L183-P234 VanDerWaalsContact CD1-CG 3.49Å; L183-I236 WeakPolarHBondContact O-CA 2.96Å; L183-E237 PolarHBondContact O-N 3.25Å
184N87.4Confident70.7Confident0 Ų044.4 Ų44.40%022%0.217CC..BIsolated β-bridgetrans-128.7163.2176.769.160.9000112E108 M111 S181 V182 Y186 R187 F188 E237E108-N184 PolarHBondContact OE1-ND2 3.49Å; M111-N184 HydrophobicContact CE-CB 3.75Å; M111-N184 HydrophobicContact SD-CB 4.47Å; S181-N184 PolarHBondContact O-ND2 3.34Å; V182-N184 PolarHBondContact O-N 2.94Å; N184-Y186 PolarHBondContact O-N 3.22Å; N184-Y186 WeakPolarHBondContact OD1-CA 2.98Å; N184-Y186 VanDerWaalsContact OD1-CB 3.22Å; N184-Y186 WeakPolarHBondContact OD1-CB 2.95Å; N184-Y186 PolarHBondContact OD1-N 3.37Å; N184-R187 PolarHBondContact O-N 3.3Å; N184-R187 PolarHBondContact OD1-N 2.96Å; N184-F188 WeakPolarHBondContact O-CB 3.47Å; N184-F188 PolarHBondContact O-N 3.04Å; N184-E237 CarbonylContact C-O 3.57Å; N184-E237 WeakPolarHBondContact CA-O 3.35Å; N184-E237 HydrophobicContact CB-CB 4.33Å
185V89.4Confident73.5Confident8 Ų840.2 Ų40.25%0.04819%0.19CC..Hα-helixtrans-58.1-33.4-178.964.10000112.8F188 K189 E237 L239V185-F188 PolarHBondContact O-N 2.75Å; V185-K189 HydrophobicContact CG2-CD 4.34Å; V185-K189 HydrophobicContact CG2-CG 4.49Å; V185-K189 WeakPolarHBondContact O-CB 3.25Å; V185-K189 WeakPolarHBondContact O-CG 3.32Å; V185-K189 PolarHBondContact O-N 3.24Å; V185-E237 PolarHBondContact N-O 2.99Å; V185-L239 HydrophobicContact CB-CD1 4.4Å; V185-L239 HydrophobicContact CG2-CD1 3.83Å
186Y91.9Very high76.4Confident23 Ų2332.3 Ų32.39%0.0916%0.164CC..Hα-helixtrans-66.7-50.9-179.7-54.9-84000111.3L71 L104 G107 E108 M111 N184 F188 K189 I190L71-Y186 HydrophobicContact CB-CE1 3.85Å; L71-Y186 HydrophobicContact CD1-CD1 4.05Å; L71-Y186 HydrophobicContact CD1-CE1 3.81Å; L71-Y186 HydrophobicContact CG-CE1 4.35Å; L104-Y186 HydrophobicContact CD2-CD1 3.94Å; L104-Y186 WeakPolarHBondContact O-CB 3.31Å; L104-Y186 WeakPolarHBondContact O-CD1 3.27Å; G107-Y186 WeakPolarHBondContact O-CE2 3.37Å; G107-Y186 PolarHBondContact O-OH 3.45Å; E108-Y186 HydrophobicContact CB-CD2 4.14Å; E108-Y186 HydrophobicContact CB-CG 4.29Å; M111-Y186 HydrophobicContact CB-CE2 4.07Å; M111-Y186 HydrophobicContact CG-CE2 4.48Å; M111-Y186 HydrophobicContact SD-CD2 4.4Å; M111-Y186 HydrophobicContact SD-CE2 3.89Å; N184-Y186 PolarHBondContact O-N 3.22Å; N184-Y186 WeakPolarHBondContact OD1-CA 2.98Å; N184-Y186 VanDerWaalsContact OD1-CB 3.22Å; N184-Y186 WeakPolarHBondContact OD1-CB 2.95Å; N184-Y186 PolarHBondContact OD1-N 3.37Å; Y186-F188 VanDerWaalsContact C-N 3.33Å; Y186-F188 PolarHBondContact O-N 2.96Å; Y186-K189 PolarHBondContact O-N 2.86Å; Y186-I190 WeakPolarHBondContact O-CG1 3.26Å; Y186-I190 PolarHBondContact O-N 3.47Å
187R91.5Very high79.1Confident37 Ų3728.6 Ų28.614%0.1414%0.14CC..Hα-helixtrans-66-35.5176.2-65.3-159-173.2-171.610.4112.6E108 V182 N184 I190 A191 T218 F222E108-R187 IonicContact OE1-CZ 3.71Å; E108-R187 IonicContact OE1-NE 2.74Å; E108-R187 PolarHBondContact OE1-NE 2.86Å; E108-R187 IonicContact OE1-NH2 3.82Å; E108-R187 PolarHBondContact OE1-NH2 3.47Å; E108-R187 IonicContact OE2-NE 2.68Å; E108-R187 PolarHBondContact OE2-NE 3.49Å; E108-R187 IonicContact OE2-NH2 2.85Å; V182-R187 WeakPolarHBondContact O-CD 3.19Å; N184-R187 PolarHBondContact O-N 3.3Å; N184-R187 PolarHBondContact OD1-N 2.96Å; R187-I190 PolarHBondContact O-N 3.42Å; R187-A191 PolarHBondContact O-N 3.33Å; R187-T218 HydrophobicContact CB-CG2 4.32Å; R187-T218 HydrophobicContact CG-CG2 3.81Å; R187-F222 HydrophobicContact CB-CB 4.25Å; R187-F222 HydrophobicContact CB-CD2 3.72Å; R187-F222 HydrophobicContact CB-CG 4.3Å
188F92.3Very high81.9Confident1 Ų123 Ų230%0.00411%0.11CC..Hα-helixtrans-57.9-48.7171.4171.3-95.5000111.6N184 V185 Y186 I190 A191 Y192 F222 I236 L239 L244 K247N184-F188 WeakPolarHBondContact O-CB 3.47Å; N184-F188 PolarHBondContact O-N 3.04Å; V185-F188 PolarHBondContact O-N 2.75Å; Y186-F188 VanDerWaalsContact C-N 3.33Å; Y186-F188 PolarHBondContact O-N 2.96Å; F188-I190 VanDerWaalsContact C-N 3.33Å; F188-I190 PolarHBondContact O-N 3.29Å; F188-A191 PolarHBondContact O-N 3.3Å; F188-Y192 AromaticContact CD2-CD2 3.52Å; F188-Y192 HydrophobicContact CD2-CD2 3.52Å; F188-Y192 AromaticContact CD2-CE2 3.9Å; F188-Y192 HydrophobicContact CD2-CE2 3.9Å; F188-Y192 HydrophobicContact CD2-CG 4.44Å; F188-Y192 AromaticContact CE2-CD2 3.43Å; F188-Y192 HydrophobicContact CE2-CD2 3.43Å; F188-Y192 VanDerWaalsContact CE2-CD2 3.43Å; F188-Y192 AromaticContact CE2-CE2 3.78Å; F188-Y192 HydrophobicContact CE2-CE2 3.78Å; F188-Y192 HydrophobicContact CE2-CG 4.04Å; F188-Y192 HydrophobicContact CG-CD2 4.29Å; F188-Y192 HydrophobicContact CZ-CD2 4.16Å; F188-Y192 HydrophobicContact CZ-CG 4.35Å; F188-Y192 PolarHBondContact O-N 2.97Å; F188-F222 HydrophobicContact CB-CE2 3.92Å; F188-F222 HydrophobicContact CB-CZ 3.85Å; F188-F222 HydrophobicContact CD2-CE1 4.26Å; F188-F222 AromaticContact CD2-CZ 3.89Å; F188-F222 HydrophobicContact CD2-CZ 3.89Å; F188-F222 HydrophobicContact CG-CZ 4.38Å; F188-I236 HydrophobicContact CB-CG2 4.35Å; F188-I236 HydrophobicContact CD2-CD1 3.93Å; F188-L239 HydrophobicContact CD1-CD1 3.74Å; F188-L239 HydrophobicContact CD1-CD2 4.42Å; F188-L239 HydrophobicContact CD2-CD2 4.37Å; F188-L239 HydrophobicContact CE1-CD1 3.84Å; F188-L239 HydrophobicContact CE1-CD2 4.31Å; F188-L239 HydrophobicContact CE2-CD2 4.26Å; F188-L239 HydrophobicContact CG-CD1 4.35Å; F188-L239 HydrophobicContact CG-CD2 4.44Å; F188-L239 HydrophobicContact CZ-CD2 4.21Å; F188-L244 HydrophobicContact CE2-CD1 4.1Å; F188-K247 HydrophobicContact CZ-CG 3.95Å
189K93.1Very high84.5Confident13 Ų1323 Ų236%0.05711%0.107CC..Hα-helixtrans-63.6-36.8176.4-75.5179.9-179.8-76.10112L71 E75 L104 V185 Y186 A191 E193 L194L71-K189 HydrophobicContact CD1-CD 3.94Å; E75-K189 HydrophobicContact CG-CD 4.48Å; E75-K189 WeakPolarHBondContact OE1-CE 3.32Å; E75-K189 IonicContact OE1-NZ 2.99Å; E75-K189 PolarHBondContact OE1-NZ 2.81Å; L104-K189 HydrophobicContact CD1-CB 4.39Å; L104-K189 HydrophobicContact CD2-CB 4.17Å; L104-K189 HydrophobicContact CD2-CD 4.29Å; V185-K189 HydrophobicContact CG2-CD 4.34Å; V185-K189 HydrophobicContact CG2-CG 4.49Å; V185-K189 WeakPolarHBondContact O-CB 3.25Å; V185-K189 WeakPolarHBondContact O-CG 3.32Å; V185-K189 PolarHBondContact O-N 3.24Å; Y186-K189 PolarHBondContact O-N 2.86Å; K189-A191 VanDerWaalsContact C-N 3.34Å; K189-A191 PolarHBondContact O-N 3.43Å; K189-E193 IonicContact NZ-OE1 3.9Å; K189-E193 IonicContact NZ-OE2 3.74Å; K189-E193 WeakPolarHBondContact O-CA 3.39Å; K189-E193 WeakPolarHBondContact O-CB 3.26Å; K189-E193 PolarHBondContact O-N 3.49Å; K189-L194 PolarHBondContact O-N 3.48Å
190I94.7Very high86.7Confident0 Ų021 Ų210%010%0.101CC..Iπ-helixtrans-58.3-47.7173.2-67170.3000110.6Y101 L104 I105 Y186 R187 F188 L194 L195 I215 T218 A219Y101-I190 HydrophobicContact CD2-CD1 4.23Å; Y101-I190 HydrophobicContact CE2-CD1 4.09Å; L104-I190 HydrophobicContact CB-CD1 4.02Å; L104-I190 HydrophobicContact CB-CG1 4.06Å; L104-I190 HydrophobicContact CD1-CD1 4.38Å; L104-I190 HydrophobicContact CD1-CG1 3.5Å; L104-I190 HydrophobicContact CG-CG1 4.38Å; I105-I190 HydrophobicContact CD1-CD1 4.07Å; Y186-I190 WeakPolarHBondContact O-CG1 3.26Å; Y186-I190 PolarHBondContact O-N 3.47Å; R187-I190 PolarHBondContact O-N 3.42Å; F188-I190 VanDerWaalsContact C-N 3.33Å; F188-I190 PolarHBondContact O-N 3.29Å; I190-L194 HydrophobicContact CG1-CD2 4.4Å; I190-L195 WeakPolarHBondContact O-CB 3.15Å; I190-L195 PolarHBondContact O-N 3.3Å; I190-I215 HydrophobicContact CG2-CG2 4.11Å; I190-T218 HydrophobicContact CB-CG2 4.43Å; I190-T218 HydrophobicContact CD1-CG2 3.68Å; I190-T218 HydrophobicContact CG2-CG2 4.16Å; I190-A219 HydrophobicContact CG2-CB 4.48Å
191A94.4Very high88.3Confident0 Ų021 Ų210%010%0.1CC..Iπ-helixtrans-71.4-45.4-176.900000113.9R187 F188 K189 A219 F222 Y253R187-A191 PolarHBondContact O-N 3.33Å; F188-A191 PolarHBondContact O-N 3.3Å; K189-A191 VanDerWaalsContact C-N 3.34Å; K189-A191 PolarHBondContact O-N 3.43Å; A191-A219 HydrophobicContact CB-CB 3.98Å; A191-F222 HydrophobicContact CB-CD1 3.98Å; A191-Y253 WeakPolarHBondContact O-CE1 3.24Å; A191-Y253 PolarHBondContact O-OH 2.68Å
192Y94.2Very high89.2Confident16 Ų1620.6 Ų20.66%0.06310%0.098CC..Iπ-helixtrans-96.8-15-170.3-79.7-82.2000115.1F188 F222 L223 K247 K248 P250 Y253F188-Y192 AromaticContact CD2-CD2 3.52Å; F188-Y192 HydrophobicContact CD2-CD2 3.52Å; F188-Y192 AromaticContact CD2-CE2 3.9Å; F188-Y192 HydrophobicContact CD2-CE2 3.9Å; F188-Y192 HydrophobicContact CD2-CG 4.44Å; F188-Y192 AromaticContact CE2-CD2 3.43Å; F188-Y192 HydrophobicContact CE2-CD2 3.43Å; F188-Y192 VanDerWaalsContact CE2-CD2 3.43Å; F188-Y192 AromaticContact CE2-CE2 3.78Å; F188-Y192 HydrophobicContact CE2-CE2 3.78Å; F188-Y192 HydrophobicContact CE2-CG 4.04Å; F188-Y192 HydrophobicContact CG-CD2 4.29Å; F188-Y192 HydrophobicContact CZ-CD2 4.16Å; F188-Y192 HydrophobicContact CZ-CG 4.35Å; F188-Y192 PolarHBondContact O-N 2.97Å; Y192-F222 HydrophobicContact CE2-CE1 4.01Å; Y192-L223 HydrophobicContact CE2-CD2 4.07Å; Y192-K247 HydrophobicContact CD1-CB 3.91Å; Y192-K247 HydrophobicContact CD1-CD 4.27Å; Y192-K247 HydrophobicContact CD1-CG 4.18Å; Y192-K247 HydrophobicContact CE1-CB 3.96Å; Y192-K248 WeakPolarHBondContact CE1-O 3.47Å; Y192-K248 PolarHBondContact OH-O 3.43Å; Y192-P250 VanDerWaalsContact OH-CA 3.28Å; Y192-P250 WeakPolarHBondContact OH-CA 3.46Å; Y192-P250 WeakPolarHBondContact OH-CG 3.11Å; Y192-Y253 AromaticContact CD1-CD1 3.89Å; Y192-Y253 HydrophobicContact CD1-CD1 3.89Å; Y192-Y253 AromaticContact CD1-CE1 3.73Å; Y192-Y253 HydrophobicContact CD1-CE1 3.73Å; Y192-Y253 HydrophobicContact CD1-CG 4.38Å; Y192-Y253 AromaticContact CE1-CD1 3.33Å; Y192-Y253 HydrophobicContact CE1-CD1 3.33Å; Y192-Y253 HydrophobicContact CE1-CD2 4.31Å; Y192-Y253 AromaticContact CE1-CE1 3.7Å; Y192-Y253 HydrophobicContact CE1-CE1 3.7Å; Y192-Y253 AromaticContact CE1-CG 3.67Å; Y192-Y253 HydrophobicContact CE1-CG 3.67Å; Y192-Y253 HydrophobicContact CE2-CD1 4.27Å; Y192-Y253 HydrophobicContact CG-CE1 4.17Å; Y192-Y253 AromaticContact CZ-CD1 3.55Å
193E93.2Very high89.3Confident38 Ų3826.5 Ų26.518%0.17813%0.129CC..Iπ-helixtrans-124.5-53.5-176.3-57.5-178.9-16800111.4I78 K189 P196 L197 K247I78-E193 HydrophobicContact CD1-CB 4.39Å; I78-E193 HydrophobicContact CG2-CB 4.15Å; K189-E193 IonicContact NZ-OE1 3.9Å; K189-E193 IonicContact NZ-OE2 3.74Å; K189-E193 WeakPolarHBondContact O-CA 3.39Å; K189-E193 WeakPolarHBondContact O-CB 3.26Å; K189-E193 PolarHBondContact O-N 3.49Å; E193-P196 WeakPolarHBondContact O-CD 3.36Å; E193-L197 WeakPolarHBondContact O-CG 3.49Å; E193-L197 PolarHBondContact O-N 3.35Å; E193-K247 IonicContact OE1-NZ 2.76Å
194L93.9Very high88.7Confident0 Ų029.3 Ų29.30%015%0.149CC..Iπ-helixtrans-73.5-43.4-173.4-167.563.1000113.2L81 L97 A100 Y101 L104 K189 I190 L197 A198 I215L81-L194 HydrophobicContact CD1-CD1 4.28Å; L97-L194 HydrophobicContact CD1-CD1 3.55Å; L97-L194 HydrophobicContact CD1-CG 4.15Å; L97-L194 HydrophobicContact CG-CD1 4.43Å; A100-L194 HydrophobicContact CB-CD1 3.71Å; A100-L194 HydrophobicContact CB-CD2 4.49Å; Y101-L194 HydrophobicContact CD2-CD2 4.28Å; L104-L194 HydrophobicContact CD1-CD2 4.07Å; K189-L194 PolarHBondContact O-N 3.48Å; I190-L194 HydrophobicContact CG1-CD2 4.4Å; L194-L197 WeakPolarHBondContact O-CB 3.26Å; L194-L197 PolarHBondContact O-N 3.43Å; L194-A198 PolarHBondContact O-N 2.83Å; L194-I215 HydrophobicContact CD2-CD1 3.95Å; L194-I215 HydrophobicContact CD2-CG1 4.02Å; L194-I215 HydrophobicContact CG-CD1 4.16Å
195L94.5Very high88Confident0 Ų030.1 Ų30.10%015%0.154CC..Hα-helixtrans-61-47.6178.3173.169.6000112.5I190 L197 A198 Y199 I215 A219 C257 M260 V261 L264I190-L195 WeakPolarHBondContact O-CB 3.15Å; I190-L195 PolarHBondContact O-N 3.3Å; L195-L197 PolarHBondContact O-N 2.58Å; L195-A198 WeakPolarHBondContact O-CB 3.28Å; L195-A198 PolarHBondContact O-N 3.4Å; L195-Y199 PolarHBondContact O-N 3.48Å; L195-I215 HydrophobicContact CB-CG2 3.95Å; L195-I215 HydrophobicContact CD1-CG2 4.04Å; L195-A219 HydrophobicContact CB-CB 4.49Å; L195-A219 HydrophobicContact CD2-CB 3.91Å; L195-C257 HydrophobicContact CD2-CB 4.28Å; L195-C257 WeakPolarHBondContact CD2-SG 3.39Å; L195-M260 HydrophobicContact CD2-CE 4.17Å; L195-M260 HydrophobicContact CG-CE 4.37Å; L195-V261 HydrophobicContact CD1-CG2 4.01Å; L195-V261 HydrophobicContact CD2-CG2 4.15Å; L195-L264 HydrophobicContact CD1-CD1 3.67Å
196P92.2Very high87.4Confident26 Ų2639.5 Ų39.517%0.16919%0.194CC..Hα-helixtrans-56.4-36.9172.7-29.236.1000114E193 K200 Y253 M260E193-P196 WeakPolarHBondContact O-CD 3.36Å; P196-K200 WeakPolarHBondContact O-CG 3.41Å; P196-K200 PolarHBondContact O-N 3.33Å; P196-Y253 VanDerWaalsContact CG-OH 3.24Å; P196-Y253 WeakPolarHBondContact CG-OH 3.35Å; P196-M260 HydrophobicContact CB-SD 4.39Å; P196-M260 HydrophobicContact CG-CE 4.33Å; P196-M260 HydrophobicContact CG-SD 4.37Å
197L89.3Confident86.8Confident11 Ų1139.8 Ų39.86%0.05820%0.197CC..Hα-helixtrans-67.7-46.4175.6-76171.2000111.7I78 L81 N82 E193 L194 L195 Y199 K200 A201I78-L197 HydrophobicContact CB-CD1 4.5Å; I78-L197 HydrophobicContact CG2-CD1 3.95Å; L81-L197 HydrophobicContact CB-CD1 3.66Å; L81-L197 HydrophobicContact CB-CD2 4.06Å; L81-L197 HydrophobicContact CB-CG 4.37Å; L81-L197 HydrophobicContact CD1-CD1 4.11Å; L81-L197 WeakPolarHBondContact O-CD2 3.23Å; N82-L197 WeakPolarHBondContact OD1-CD2 3.24Å; E193-L197 WeakPolarHBondContact O-CG 3.49Å; E193-L197 PolarHBondContact O-N 3.35Å; L194-L197 WeakPolarHBondContact O-CB 3.26Å; L194-L197 PolarHBondContact O-N 3.43Å; L195-L197 PolarHBondContact O-N 2.58Å; L197-Y199 VanDerWaalsContact C-N 3.27Å; L197-Y199 PolarHBondContact O-N 2.87Å; L197-K200 PolarHBondContact O-N 3.44Å; L197-A201 WeakPolarHBondContact O-CB 3.46Å; L197-A201 PolarHBondContact O-N 3.13Å
198A89.8Confident86.4Confident0 Ų042.3 Ų42.30%021%0.213CC..Hα-helixtrans-55.8-44.1174.700000111.5L97 L194 L195 A201 S202 I212 I215 L264L97-A198 HydrophobicContact CD1-CB 3.92Å; L97-A198 HydrophobicContact CD2-CB 3.81Å; L97-A198 HydrophobicContact CG-CB 4.48Å; L194-A198 PolarHBondContact O-N 2.83Å; L195-A198 WeakPolarHBondContact O-CB 3.28Å; L195-A198 PolarHBondContact O-N 3.4Å; A198-A201 PolarHBondContact O-N 2.99Å; A198-S202 WeakPolarHBondContact O-CB 3.29Å; A198-S202 PolarHBondContact O-N 2.75Å; A198-I212 HydrophobicContact CB-CD1 3.85Å; A198-I215 HydrophobicContact CB-CD1 4.48Å; A198-L264 HydrophobicContact CB-CD1 4.4Å
199Y89.4Confident86Confident71 Ų7148.1 Ų48.128%0.27824%0.238SC..Hα-helixtrans-61-50.4176.4177.7-112.7000112.2L195 L197 A201 S202 M260 H263 L264L195-Y199 PolarHBondContact O-N 3.48Å; L197-Y199 VanDerWaalsContact C-N 3.27Å; L197-Y199 PolarHBondContact O-N 2.87Å; Y199-A201 VanDerWaalsContact C-N 3.28Å; Y199-A201 PolarHBondContact O-N 3.23Å; Y199-S202 PolarHBondContact O-N 2.93Å; Y199-S202 PolarHBondContact O-OG 2.99Å; Y199-M260 HydrophobicContact CD1-CG 3.79Å; Y199-M260 HydrophobicContact CD1-SD 4.08Å; Y199-M260 HydrophobicContact CD2-CB 4.04Å; Y199-M260 HydrophobicContact CD2-CG 4.05Å; Y199-M260 HydrophobicContact CE1-CG 4.27Å; Y199-M260 HydrophobicContact CG-CB 4.01Å; Y199-M260 HydrophobicContact CG-CG 3.67Å; Y199-M260 HydrophobicContact CG-SD 4.13Å; Y199-H263 HydrophobicContact CD2-CB 4.25Å; Y199-H263 HydrophobicContact CE2-CB 3.63Å; Y199-H263 AromaticContact CE2-CD2 3.92Å; Y199-H263 AromaticContact CE2-CG 3.94Å; Y199-L264 HydrophobicContact CD2-CG 4.3Å
200K85.5Confident85.7Confident129 Ų12951.5 Ų51.556%0.56126%0.257SS*.Hα-helixtrans-58.7-41.7176.5-72.9172.5-176.1174.60112P196 L197P196-K200 WeakPolarHBondContact O-CG 3.41Å; P196-K200 PolarHBondContact O-N 3.33Å; L197-K200 PolarHBondContact O-N 3.44Å
201A81.6Confident85.4Confident5 Ų552.4 Ų52.44%0.04126%0.262CS..Hα-helixtrans-71.5-27.3-17700000113.8L93 L197 A198 Y199 N203 S204 T205 M207L93-A201 HydrophobicContact CD1-CB 4.38Å; L93-A201 HydrophobicContact CD2-CB 3.45Å; L93-A201 VanDerWaalsContact CD2-CB 3.45Å; L93-A201 HydrophobicContact CG-CB 3.91Å; L197-A201 WeakPolarHBondContact O-CB 3.46Å; L197-A201 PolarHBondContact O-N 3.13Å; A198-A201 PolarHBondContact O-N 2.99Å; Y199-A201 VanDerWaalsContact C-N 3.28Å; Y199-A201 PolarHBondContact O-N 3.23Å; A201-N203 PolarHBondContact O-N 3.25Å; A201-S204 PolarHBondContact O-N 2.96Å; A201-S204 VanDerWaalsContact O-N 3.13Å; A201-S204 PolarHBondContact O-OG 2.78Å; A201-T205 PolarHBondContact O-N 3.22Å; A201-T205 PolarHBondContact O-OG1 3.02Å; A201-M207 HydrophobicContact CB-CE 3.34Å
202S80.8Confident85.2Confident40 Ų4052.7 Ų52.728%0.2826%0.264SS..Hα-helixtrans-63.4-23.5178.872.90000114.1A198 Y199 S204 L264A198-S202 WeakPolarHBondContact O-CB 3.29Å; A198-S202 PolarHBondContact O-N 2.75Å; Y199-S202 PolarHBondContact O-N 2.93Å; Y199-S202 PolarHBondContact O-OG 2.99Å; S202-S204 VanDerWaalsContact C-N 3.34Å; S202-L264 VanDerWaalsContact CB-CD2 3.42Å
203N73.2Confident85Confident132 Ų13253.6 Ų53.671%0.70627%0.267SS*.THydrogen-bonded Turntrans-76.4-21.3177-69.9-31.3000113.2A201A201-N203 PolarHBondContact O-N 3.25Å
204S71.6Confident84.9Confident65 Ų6555.8 Ų55.846%0.45528%0.276SS..THydrogen-bonded Turntrans-107.6-20.3-17553.10000113.7A201 S202A201-S204 PolarHBondContact O-N 2.96Å; A201-S204 VanDerWaalsContact O-N 3.13Å; A201-S204 PolarHBondContact O-OG 2.78Å; S202-S204 VanDerWaalsContact C-N 3.34Å
205T71.7Confident84.9Confident18 Ų1855.8 Ų55.811%0.1128%0.276CS..SBendtrans-147.1154.8-167.360.90000113.8P90 L93 A201 M207P90-T205 HydrophobicContact CB-CG2 3.67Å; P90-T205 VanDerWaalsContact O-CG2 3.24Å; P90-T205 WeakPolarHBondContact O-CG2 3.45Å; L93-T205 HydrophobicContact CB-CG2 4.32Å; L93-T205 HydrophobicContact CD2-CG2 3.75Å; A201-T205 PolarHBondContact O-N 3.22Å; A201-T205 PolarHBondContact O-OG1 3.02Å; T205-M207 PolarHBondContact O-N 3.49Å; T205-M207 WeakPolarHBondContact OG1-CE 3.49Å
206K76.9Confident84.8Confident205 Ų20555.8 Ų55.889%0.89128%0.276SS*.  trans-80.1112.8168.7-74.1-175.2179.91780109.3
207M79Confident84.8Confident29 Ų2955.4 Ų55.414%0.14327%0.273CS..  trans-92.1153.5177-67.8-65.3175.500112.2L93 P94 L97 A201 T205 K209 I212L93-M207 HydrophobicContact CB-CE 4.19Å; L93-M207 HydrophobicContact CD2-CE 3.82Å; L93-M207 HydrophobicContact CG-CE 3.6Å; P94-M207 VanDerWaalsContact CA-SD 3.54Å; P94-M207 HydrophobicContact CB-SD 3.72Å; P94-M207 HydrophobicContact CG-CE 4.3Å; P94-M207 HydrophobicContact CG-SD 3.8Å; L97-M207 HydrophobicContact CD2-SD 3.98Å; A201-M207 HydrophobicContact CB-CE 3.34Å; T205-M207 PolarHBondContact O-N 3.49Å; T205-M207 WeakPolarHBondContact OG1-CE 3.49Å; M207-K209 PolarHBondContact O-N 2.97Å; M207-I212 HydrophobicContact CB-CD1 3.95Å; M207-I212 HydrophobicContact CB-CG1 3.74Å; M207-I212 HydrophobicContact CG-CD1 4.22Å
208D83.7Confident84.9Confident90 Ų9055.6 Ų55.648%0.48128%0.275SS..  trans-65.5115.1168.2-178.6-6.9000109.7N210 V211 I212D208-N210 PolarHBondContact O-N 2.86Å; D208-N210 WeakPolarHBondContact OD1-CB 3.12Å; D208-N210 PolarHBondContact OD1-N 3.02Å; D208-V211 HydrophobicContact CB-CB 4.22Å; D208-V211 HydrophobicContact CB-CG2 3.97Å; D208-V211 PolarHBondContact O-N 3.02Å; D208-I212 WeakPolarHBondContact O-CG1 3.4Å; D208-I212 PolarHBondContact O-N 3.19Å
209K83.5Confident85.1Confident123 Ų12355.6 Ų55.654%0.53528%0.275SS..Hα-helixtrans-59.7-32.2-179.1-67.3-173.6177.2-174.40112.7M207 Y213M207-K209 PolarHBondContact O-N 2.97Å; K209-Y213 VanDerWaalsContact O-CB 3.25Å; K209-Y213 WeakPolarHBondContact O-CB 3.46Å; K209-Y213 PolarHBondContact O-N 3.16Å
210N86.9Confident85.3Confident83 Ų8352.3 Ų52.344%0.44426%0.262SS..Hα-helixtrans-68.7-43.6179.2-173.533.1000111D208 Y213 K214D208-N210 PolarHBondContact O-N 2.86Å; D208-N210 WeakPolarHBondContact OD1-CB 3.12Å; D208-N210 PolarHBondContact OD1-N 3.02Å; N210-Y213 PolarHBondContact O-N 3.01Å; N210-K214 WeakPolarHBondContact O-CB 3.26Å; N210-K214 VanDerWaalsContact O-CG 3.32Å; N210-K214 WeakPolarHBondContact O-CG 3.37Å; N210-K214 PolarHBondContact O-N 2.91Å
211V89Confident85.5Confident19 Ų1946.3 Ų46.312%0.11524%0.237CC..Hα-helixtrans-62.4-46.6175.3175.50000110.5A98 D208 Y213 K214 I215A98-V211 HydrophobicContact CB-CG1 4.42Å; A98-V211 HydrophobicContact CB-CG2 4.09Å; D208-V211 HydrophobicContact CB-CB 4.22Å; D208-V211 HydrophobicContact CB-CG2 3.97Å; D208-V211 PolarHBondContact O-N 3.02Å; V211-Y213 VanDerWaalsContact C-N 3.33Å; V211-Y213 PolarHBondContact O-N 3.44Å; V211-K214 PolarHBondContact O-N 2.86Å; V211-I215 HydrophobicContact CG1-CD1 3.8Å; V211-I215 HydrophobicContact CG1-CG1 4.42Å; V211-I215 VanDerWaalsContact O-CG1 3.31Å; V211-I215 WeakPolarHBondContact O-CG1 3.29Å; V211-I215 PolarHBondContact O-N 3.44Å
212I90.2Very high86Confident7 Ų746.1 Ų46.14%0.03624%0.235CC..Hα-helixtrans-59.8-43.8177.3-64.9-61.5000111.6L97 A198 M207 D208 I215 S216 L264 L265L97-I212 HydrophobicContact CD2-CD1 3.67Å; A198-I212 HydrophobicContact CB-CD1 3.85Å; M207-I212 HydrophobicContact CB-CD1 3.95Å; M207-I212 HydrophobicContact CB-CG1 3.74Å; M207-I212 HydrophobicContact CG-CD1 4.22Å; D208-I212 WeakPolarHBondContact O-CG1 3.4Å; D208-I212 PolarHBondContact O-N 3.19Å; I212-I215 PolarHBondContact O-N 3.05Å; I212-S216 WeakPolarHBondContact O-CB 3.15Å; I212-S216 PolarHBondContact O-N 3.34Å; I212-S216 PolarHBondContact O-OG 3.31Å; I212-L264 HydrophobicContact CD1-CD2 4.28Å; I212-L264 HydrophobicContact CG2-CB 3.74Å; I212-L264 HydrophobicContact CG2-CD1 4.24Å; I212-L264 HydrophobicContact CG2-CD2 4.14Å; I212-L264 HydrophobicContact CG2-CG 4.27Å; I212-L265 HydrophobicContact CG2-CD2 3.92Å
213Y89.7Confident86.6Confident34 Ų3444.2 Ų44.213%0.13322%0.221CC..Hα-helixtrans-60-49176.3174.5-106.4000111.6K209 N210 V211 I215 S216 V217 L265 H323 F327 L421K209-Y213 VanDerWaalsContact O-CB 3.25Å; K209-Y213 WeakPolarHBondContact O-CB 3.46Å; K209-Y213 PolarHBondContact O-N 3.16Å; N210-Y213 PolarHBondContact O-N 3.01Å; V211-Y213 VanDerWaalsContact C-N 3.33Å; V211-Y213 PolarHBondContact O-N 3.44Å; Y213-I215 PolarHBondContact O-N 3.44Å; Y213-S216 WeakPolarHBondContact O-CB 3.43Å; Y213-S216 PolarHBondContact O-N 3.37Å; Y213-S216 VanDerWaalsContact O-N 3.12Å; Y213-V217 HydrophobicContact CD1-CG2 4.24Å; Y213-V217 HydrophobicContact CD2-CG2 4.19Å; Y213-V217 HydrophobicContact CE1-CG2 3.79Å; Y213-V217 HydrophobicContact CE2-CG2 3.7Å; Y213-V217 HydrophobicContact CG-CG2 4.43Å; Y213-V217 VanDerWaalsContact CZ-CG2 3.48Å; Y213-V217 WeakPolarHBondContact O-CG2 3.44Å; Y213-V217 PolarHBondContact O-N 3.35Å; Y213-L265 HydrophobicContact CD2-CD1 4.24Å; Y213-H323 AromaticContact CD2-CE1 3.86Å; Y213-H323 AromaticContact CE2-CE1 3.45Å; Y213-H323 VanDerWaalsContact CE2-CE1 3.45Å; Y213-H323 WeakPolarHBondContact CE2-CE1 3.36Å; Y213-H323 AromaticContact CZ-CE1 3.78Å; Y213-F327 HydrophobicContact CD2-CD2 4.42Å; Y213-F327 HydrophobicContact CD2-CE2 4.33Å; Y213-F327 AromaticContact CE2-CD2 3.48Å; Y213-F327 HydrophobicContact CE2-CD2 3.48Å; Y213-F327 VanDerWaalsContact CE2-CD2 3.48Å; Y213-F327 AromaticContact CE2-CE2 3.55Å; Y213-F327 HydrophobicContact CE2-CE2 3.55Å; Y213-F327 HydrophobicContact CE2-CG 4.03Å; Y213-F327 HydrophobicContact CE2-CZ 4.19Å; Y213-L421 VanDerWaalsContact OH-CD1 3.24Å; Y213-L421 WeakPolarHBondContact OH-CD1 3.31Å
214K91.4Very high87.4Confident84 Ų8437.9 Ų37.937%0.36519%0.188SC..Hα-helixtrans-60.9-45.1178.5-74.4179.8179.7-175.70112.8Y101 N210 V211 S216 V217 T218Y101-K214 HydrophobicContact CE1-CB 3.93Å; Y101-K214 HydrophobicContact CE1-CD 3.93Å; Y101-K214 HydrophobicContact CE2-CB 4.16Å; Y101-K214 WeakPolarHBondContact OH-CB 3.49Å; N210-K214 WeakPolarHBondContact O-CB 3.26Å; N210-K214 VanDerWaalsContact O-CG 3.32Å; N210-K214 WeakPolarHBondContact O-CG 3.37Å; N210-K214 PolarHBondContact O-N 2.91Å; V211-K214 PolarHBondContact O-N 2.86Å; K214-S216 VanDerWaalsContact C-N 3.27Å; K214-S216 PolarHBondContact O-N 2.99Å; K214-V217 PolarHBondContact O-N 3Å; K214-T218 WeakPolarHBondContact O-CB 3.39Å; K214-T218 PolarHBondContact O-N 3.05Å; K214-T218 PolarHBondContact O-OG1 3.48Å; K214-T218 VanDerWaalsContact O-OG1 3.04Å
215I93.8Very high88.3Confident1 Ų134.9 Ų34.91%0.00517%0.167CC..Hα-helixtrans-55.9-45.7173-70.1167.1000110.3L97 Y101 I190 L194 L195 A198 V211 I212 Y213 A219L97-I215 HydrophobicContact CD1-CD1 4.4Å; L97-I215 HydrophobicContact CD2-CD1 3.97Å; L97-I215 HydrophobicContact CG-CD1 3.99Å; Y101-I215 HydrophobicContact CD2-CB 4.49Å; Y101-I215 HydrophobicContact CD2-CD1 4.44Å; Y101-I215 HydrophobicContact CD2-CG1 3.44Å; Y101-I215 VanDerWaalsContact CD2-CG1 3.44Å; Y101-I215 HydrophobicContact CE2-CG1 4.07Å; Y101-I215 HydrophobicContact CG-CG1 4Å; I190-I215 HydrophobicContact CG2-CG2 4.11Å; L194-I215 HydrophobicContact CD2-CD1 3.95Å; L194-I215 HydrophobicContact CD2-CG1 4.02Å; L194-I215 HydrophobicContact CG-CD1 4.16Å; L195-I215 HydrophobicContact CB-CG2 3.95Å; L195-I215 HydrophobicContact CD1-CG2 4.04Å; A198-I215 HydrophobicContact CB-CD1 4.48Å; V211-I215 HydrophobicContact CG1-CD1 3.8Å; V211-I215 HydrophobicContact CG1-CG1 4.42Å; V211-I215 VanDerWaalsContact O-CG1 3.31Å; V211-I215 WeakPolarHBondContact O-CG1 3.29Å; V211-I215 PolarHBondContact O-N 3.44Å; I212-I215 PolarHBondContact O-N 3.05Å; Y213-I215 PolarHBondContact O-N 3.44Å; I215-A219 VanDerWaalsContact O-CB 3.23Å; I215-A219 WeakPolarHBondContact O-CB 3.24Å; I215-A219 PolarHBondContact O-N 2.85Å
216S92.9Very high89.1Confident0 Ų034.6 Ų34.60%016%0.164CC..Hα-helixtrans-64-47.7-178.2-56.70000112I212 Y213 K214 A219 I220I212-S216 WeakPolarHBondContact O-CB 3.15Å; I212-S216 PolarHBondContact O-N 3.34Å; I212-S216 PolarHBondContact O-OG 3.31Å; Y213-S216 WeakPolarHBondContact O-CB 3.43Å; Y213-S216 PolarHBondContact O-N 3.37Å; Y213-S216 VanDerWaalsContact O-N 3.12Å; K214-S216 VanDerWaalsContact C-N 3.27Å; K214-S216 PolarHBondContact O-N 2.99Å; S216-A219 PolarHBondContact O-N 2.95Å; S216-I220 VanDerWaalsContact O-CG1 3.3Å; S216-I220 WeakPolarHBondContact O-CG1 3.38Å; S216-I220 PolarHBondContact O-N 3.13Å
217V91.3Very high89.7Confident17 Ų1725.8 Ų25.810%0.10313%0.126CC..Hα-helixtrans-58.2-52177172.50000110.3Y213 K214 A219 I220 N221 F327 N423Y213-V217 HydrophobicContact CD1-CG2 4.24Å; Y213-V217 HydrophobicContact CD2-CG2 4.19Å; Y213-V217 HydrophobicContact CE1-CG2 3.79Å; Y213-V217 HydrophobicContact CE2-CG2 3.7Å; Y213-V217 HydrophobicContact CG-CG2 4.43Å; Y213-V217 VanDerWaalsContact CZ-CG2 3.48Å; Y213-V217 WeakPolarHBondContact O-CG2 3.44Å; Y213-V217 PolarHBondContact O-N 3.35Å; K214-V217 PolarHBondContact O-N 3Å; V217-A219 VanDerWaalsContact C-N 3.34Å; V217-A219 PolarHBondContact O-N 3.34Å; V217-I220 PolarHBondContact O-N 3.3Å; V217-N221 WeakPolarHBondContact O-CB 3.46Å; V217-N221 PolarHBondContact O-N 3Å; V217-F327 HydrophobicContact CG2-CE2 3.59Å; V217-F327 HydrophobicContact CG2-CZ 4.03Å; V217-N423 HydrophobicContact CG1-CB 3.68Å
218T91.6Very high90Very high15 Ų1524.6 Ų24.69%0.09212%0.12CC..Hα-helixtrans-63.5-40.4-176.9-57.40000111.9R187 I190 K214 F222R187-T218 HydrophobicContact CB-CG2 4.32Å; R187-T218 HydrophobicContact CG-CG2 3.81Å; I190-T218 HydrophobicContact CB-CG2 4.43Å; I190-T218 HydrophobicContact CD1-CG2 3.68Å; I190-T218 HydrophobicContact CG2-CG2 4.16Å; K214-T218 WeakPolarHBondContact O-CB 3.39Å; K214-T218 PolarHBondContact O-N 3.05Å; K214-T218 PolarHBondContact O-OG1 3.48Å; K214-T218 VanDerWaalsContact O-OG1 3.04Å; T218-F222 WeakPolarHBondContact O-CB 3.23Å; T218-F222 PolarHBondContact O-N 3.16Å
219A93.7Very high89.9Confident0 Ų022 Ų220%011%0.105CC..Hα-helixtrans-64.8-48.5177.600000112.5I190 A191 L195 I215 S216 V217 F222 L223I190-A219 HydrophobicContact CG2-CB 4.48Å; A191-A219 HydrophobicContact CB-CB 3.98Å; L195-A219 HydrophobicContact CB-CB 4.49Å; L195-A219 HydrophobicContact CD2-CB 3.91Å; I215-A219 VanDerWaalsContact O-CB 3.23Å; I215-A219 WeakPolarHBondContact O-CB 3.24Å; I215-A219 PolarHBondContact O-N 2.85Å; S216-A219 PolarHBondContact O-N 2.95Å; V217-A219 VanDerWaalsContact C-N 3.34Å; V217-A219 PolarHBondContact O-N 3.34Å; A219-F222 PolarHBondContact O-N 3.07Å; A219-L223 WeakPolarHBondContact O-CG 3.35Å; A219-L223 PolarHBondContact O-N 2.81Å; A219-L223 VanDerWaalsContact O-N 3.13Å
220I92.9Very high89.3Confident2 Ų217 Ų171%0.019%0.085CC..Hα-helixtrans-67.9-42.8-179.3-59.9170.8000110.1S216 V217 F222 L223 V224 L258 V261 F327 C331 I424S216-I220 VanDerWaalsContact O-CG1 3.3Å; S216-I220 WeakPolarHBondContact O-CG1 3.38Å; S216-I220 PolarHBondContact O-N 3.13Å; V217-I220 PolarHBondContact O-N 3.3Å; I220-F222 VanDerWaalsContact C-N 3.32Å; I220-F222 PolarHBondContact O-N 3.11Å; I220-L223 PolarHBondContact O-N 2.85Å; I220-L223 VanDerWaalsContact O-N 3.11Å; I220-V224 HydrophobicContact CG2-CG2 3.86Å; I220-V224 WeakPolarHBondContact O-CG2 3.39Å; I220-V224 PolarHBondContact O-N 2.96Å; I220-L258 HydrophobicContact CD1-CD2 4.05Å; I220-V261 HydrophobicContact CD1-CB 4.43Å; I220-V261 HydrophobicContact CD1-CG1 4.13Å; I220-V261 HydrophobicContact CD1-CG2 4.15Å; I220-V261 HydrophobicContact CG1-CG2 4.48Å; I220-F327 HydrophobicContact CD1-CE1 4.49Å; I220-F327 HydrophobicContact CD1-CZ 4.28Å; I220-C331 VanDerWaalsContact CD1-SG 3.51Å; I220-I424 HydrophobicContact CB-CG2 3.83Å; I220-I424 HydrophobicContact CG2-CG2 3.26Å
221N90.9Very high88.3Confident4 Ų416.1 Ų16.12%0.0218%0.084CC..Hα-helixtrans-58.2-44.7177.8-170.7-50000111.5V182 V217 L223 T225 N423 H425 H427V182-N221 WeakPolarHBondContact CG1-OD1 3.44Å; V217-N221 WeakPolarHBondContact O-CB 3.46Å; V217-N221 PolarHBondContact O-N 3Å; N221-L223 PolarHBondContact O-N 2.9Å; N221-T225 VanDerWaalsContact O-CB 3.26Å; N221-T225 WeakPolarHBondContact O-CB 3.28Å; N221-T225 PolarHBondContact O-N 3.19Å; N221-T225 PolarHBondContact O-OG1 3.45Å; N221-T225 PolarHBondContact OD1-OG1 3.43Å; N221-N423 PolarHBondContact ND2-O 2.84Å; N221-H425 PolarHBondContact ND2-O 2.78Å; N221-H425 VanDerWaalsContact ND2-O 3.09Å; N221-H427 PolarHBondContact ND2-CD2 3.33Å; N221-H427 VanDerWaalsContact ND2-CD2 3.34Å; N221-H427 PolarHBondContact ND2-NE2 2.91Å; N221-H427 PolarHBondContact OD1-CD2 3.28Å
222F91.5Very high87.4Confident0 Ų016.5 Ų16.50%09%0.089CC..Hα-helixtrans-55.2-49.5173.1172.9-87.7000112V182 L183 R187 F188 A191 Y192 T218 A219 I220 Y226 I236V182-F222 VanDerWaalsContact O-CD2 3.31Å; V182-F222 WeakPolarHBondContact O-CD2 3.33Å; L183-F222 HydrophobicContact CD2-CD2 4.28Å; L183-F222 HydrophobicContact CD2-CE2 4.1Å; R187-F222 HydrophobicContact CB-CB 4.25Å; R187-F222 HydrophobicContact CB-CD2 3.72Å; R187-F222 HydrophobicContact CB-CG 4.3Å; F188-F222 HydrophobicContact CB-CE2 3.92Å; F188-F222 HydrophobicContact CB-CZ 3.85Å; F188-F222 HydrophobicContact CD2-CE1 4.26Å; F188-F222 AromaticContact CD2-CZ 3.89Å; F188-F222 HydrophobicContact CD2-CZ 3.89Å; F188-F222 HydrophobicContact CG-CZ 4.38Å; A191-F222 HydrophobicContact CB-CD1 3.98Å; Y192-F222 HydrophobicContact CE2-CE1 4.01Å; T218-F222 WeakPolarHBondContact O-CB 3.23Å; T218-F222 PolarHBondContact O-N 3.16Å; A219-F222 PolarHBondContact O-N 3.07Å; I220-F222 VanDerWaalsContact C-N 3.32Å; I220-F222 PolarHBondContact O-N 3.11Å; F222-Y226 HydrophobicContact CZ-CD2 4.29Å; F222-Y226 WeakPolarHBondContact O-CB 3.18Å; F222-Y226 PolarHBondContact O-N 3.49Å; F222-I236 HydrophobicContact CE2-CD1 4.36Å; F222-I236 HydrophobicContact CZ-CD1 3.8Å; F222-I236 HydrophobicContact CZ-CG1 4.41Å
223L92.6Very high86.7Confident0 Ų021.2 Ų21.20%011%0.114CC..Hα-helixtrans-67.2-46.8-176.1-68.5171.3000112.3Y192 A219 I220 N221 Y226 I227 P250 Y253 I254 C257Y192-L223 HydrophobicContact CE2-CD2 4.07Å; A219-L223 WeakPolarHBondContact O-CG 3.35Å; A219-L223 PolarHBondContact O-N 2.81Å; A219-L223 VanDerWaalsContact O-N 3.13Å; I220-L223 PolarHBondContact O-N 2.85Å; I220-L223 VanDerWaalsContact O-N 3.11Å; N221-L223 PolarHBondContact O-N 2.9Å; L223-Y226 PolarHBondContact O-N 3.03Å; L223-I227 WeakPolarHBondContact O-CD1 3.44Å; L223-I227 WeakPolarHBondContact O-CG1 3.27Å; L223-I227 PolarHBondContact O-N 3.2Å; L223-P250 HydrophobicContact CD2-CB 4.07Å; L223-Y253 HydrophobicContact CD1-CD1 3.98Å; L223-Y253 HydrophobicContact CD1-CE1 4.33Å; L223-Y253 HydrophobicContact CD2-CD1 3.98Å; L223-I254 HydrophobicContact CB-CB 4.49Å; L223-I254 HydrophobicContact CB-CD1 4.27Å; L223-I254 HydrophobicContact CB-CG1 4.3Å; L223-I254 HydrophobicContact CD1-CB 4.33Å; L223-I254 HydrophobicContact CD1-CG1 4.36Å; L223-C257 HydrophobicContact CD1-CB 3.68Å
224V91.7Very high86.2Confident0 Ų020.3 Ų20.30%011%0.112CC..Hα-helixtrans-60.5-48.6178178.50000109.1I220 Y226 I227 T228 I254 W334 V338 P426I220-V224 HydrophobicContact CG2-CG2 3.86Å; I220-V224 WeakPolarHBondContact O-CG2 3.39Å; I220-V224 PolarHBondContact O-N 2.96Å; V224-Y226 PolarHBondContact O-N 3.05Å; V224-I227 PolarHBondContact O-N 3.38Å; V224-T228 HydrophobicContact CG1-CG2 4.48Å; V224-T228 WeakPolarHBondContact O-CG2 3.03Å; V224-T228 PolarHBondContact O-N 2.99Å; V224-T228 PolarHBondContact O-OG1 2.93Å; V224-I254 HydrophobicContact CG2-CD1 3.82Å; V224-W334 HydrophobicContact CG1-CB 4.41Å; V224-W334 HydrophobicContact CG1-CE3 4.39Å; V224-W334 HydrophobicContact CG2-CB 4.35Å; V224-V338 HydrophobicContact CG1-CG2 3.79Å; V224-P426 HydrophobicContact CG1-CB 3.82Å; V224-P426 HydrophobicContact CG1-CG 3.98Å
225T89.1Confident85.4Confident2 Ų221.6 Ų21.61%0.01213%0.132CC..Hα-helixtrans-59.5-42.7178-57.70000112.4V182 L183 N221 T228 H229 P426 H427V182-T225 HydrophobicContact CB-CG2 4.17Å; V182-T225 HydrophobicContact CG1-CG2 4.04Å; L183-T225 HydrophobicContact CD1-CG2 4.41Å; L183-T225 HydrophobicContact CD2-CG2 4.22Å; L183-T225 HydrophobicContact CG-CG2 4.21Å; N221-T225 VanDerWaalsContact O-CB 3.26Å; N221-T225 WeakPolarHBondContact O-CB 3.28Å; N221-T225 PolarHBondContact O-N 3.19Å; N221-T225 PolarHBondContact O-OG1 3.45Å; N221-T225 PolarHBondContact OD1-OG1 3.43Å; T225-T228 PolarHBondContact O-OG1 3.15Å; T225-H229 PolarHBondContact O-N 3.33Å; T225-P426 WeakPolarHBondContact OG1-CA 3.35Å; T225-H427 HydrophobicContact CG2-CB 4.36Å; T225-H427 PolarHBondContact OG1-N 3.09Å
226Y89.2Confident85Confident12 Ų1222.2 Ų22.25%0.04714%0.135CC..Hα-helixtrans-62.7-47.8177.9-173-75.8000111.5L183 F222 L223 V224 T228 H229 N233 P234 I236 L244 P250L183-Y226 HydrophobicContact CD2-CD2 4.08Å; L183-Y226 HydrophobicContact CD2-CG 4.49Å; F222-Y226 HydrophobicContact CZ-CD2 4.29Å; F222-Y226 WeakPolarHBondContact O-CB 3.18Å; F222-Y226 PolarHBondContact O-N 3.49Å; L223-Y226 PolarHBondContact O-N 3.03Å; V224-Y226 PolarHBondContact O-N 3.05Å; Y226-T228 VanDerWaalsContact C-N 3.34Å; Y226-T228 PolarHBondContact O-N 3.45Å; Y226-H229 VanDerWaalsContact O-CB 3.31Å; Y226-H229 WeakPolarHBondContact O-CB 3.32Å; Y226-H229 PolarHBondContact O-N 2.81Å; Y226-N233 PolarHBondContact OH-OD1 3.17Å; Y226-P234 HydrophobicContact CD2-CG 3.78Å; Y226-P234 HydrophobicContact CE2-CG 3.83Å; Y226-P234 HydrophobicContact CG-CG 4.24Å; Y226-I236 HydrophobicContact CD2-CD1 4.26Å; Y226-I236 HydrophobicContact CD2-CG1 4.38Å; Y226-I236 HydrophobicContact CE2-CD1 3.9Å; Y226-I236 HydrophobicContact CE2-CG1 4.09Å; Y226-L244 HydrophobicContact CE2-CD1 4.13Å; Y226-L244 VanDerWaalsContact OH-CD2 3.23Å; Y226-L244 WeakPolarHBondContact OH-CD2 3.36Å; Y226-P250 HydrophobicContact CD1-CB 3.67Å; Y226-P250 HydrophobicContact CD1-CG 3.49Å; Y226-P250 VanDerWaalsContact CD1-CG 3.49Å; Y226-P250 HydrophobicContact CE1-CB 4.13Å; Y226-P250 HydrophobicContact CE1-CG 3.52Å; Y226-P250 HydrophobicContact CG-CB 4.28Å; Y226-P250 HydrophobicContact CG-CG 4.09Å
227I89.4Confident84.5Confident19 Ų1925.2 Ų25.210%0.09715%0.149CC..Hα-helixtrans-67.9-36.1-176.1-63.2160.9000111.1L223 V224 H229 P250 I254 V338 T342L223-I227 WeakPolarHBondContact O-CD1 3.44Å; L223-I227 WeakPolarHBondContact O-CG1 3.27Å; L223-I227 PolarHBondContact O-N 3.2Å; V224-I227 PolarHBondContact O-N 3.38Å; I227-H229 PolarHBondContact O-N 3.26Å; I227-P250 HydrophobicContact CG1-CB 4.02Å; I227-I254 HydrophobicContact CD1-CB 4.11Å; I227-I254 HydrophobicContact CD1-CD1 3.93Å; I227-I254 HydrophobicContact CD1-CG2 4.08Å; I227-V338 HydrophobicContact CB-CG1 3.9Å; I227-V338 HydrophobicContact CG2-CG1 3.28Å; I227-T342 HydrophobicContact CG2-CG2 3.79Å
228T85.7Confident84Confident5 Ų527.6 Ų27.63%0.03118%0.177CC..THydrogen-bonded Turntrans-81.43.8177.658.10000113.5V224 T225 Y226 V338 P426 F440V224-T228 HydrophobicContact CG1-CG2 4.48Å; V224-T228 WeakPolarHBondContact O-CG2 3.03Å; V224-T228 PolarHBondContact O-N 2.99Å; V224-T228 PolarHBondContact O-OG1 2.93Å; T225-T228 PolarHBondContact O-OG1 3.15Å; Y226-T228 VanDerWaalsContact C-N 3.34Å; Y226-T228 PolarHBondContact O-N 3.45Å; T228-V338 HydrophobicContact CG2-CB 4.39Å; T228-V338 HydrophobicContact CG2-CG1 4.13Å; T228-V338 HydrophobicContact CG2-CG2 3.42Å; T228-V338 VanDerWaalsContact CG2-CG2 3.42Å; T228-P426 HydrophobicContact CG2-CB 4.35Å; T228-P426 HydrophobicContact CG2-CG 4.42Å; T228-P426 VanDerWaalsContact OG1-CB 3.3Å; T228-P426 WeakPolarHBondContact OG1-CB 2.98Å; T228-F440 HydrophobicContact CG2-CD1 3.68Å; T228-F440 HydrophobicContact CG2-CE1 3.86Å; T228-F440 HydrophobicContact CG2-CG 4.05Å; T228-F440 HydrophobicContact CG2-CZ 4.34Å; T228-F440 WeakPolarHBondContact O-CB 3.2Å
229H81.1Confident83.5Confident35 Ų3528.3 Ų28.316%0.16218%0.18CC..  trans-72.5138-178.6-16865.3000111.8T225 Y226 I227 P231 P234 N429T225-H229 PolarHBondContact O-N 3.33Å; Y226-H229 VanDerWaalsContact O-CB 3.31Å; Y226-H229 WeakPolarHBondContact O-CB 3.32Å; Y226-H229 PolarHBondContact O-N 2.81Å; I227-H229 PolarHBondContact O-N 3.26Å; H229-P231 CarbonylContact C-O 3.57Å; H229-P231 PolarHBondContact CD2-O 3.42Å; H229-P231 CarbonylContact O-C 3.57Å; H229-P234 HydrophobicContact CB-CB 4.29Å; H229-P234 HydrophobicContact CB-CG 3.61Å; H229-P234 WeakPolarHBondContact CD2-CB 3.22Å; H229-P234 VanDerWaalsContact CD2-CD 3.48Å; H229-P234 WeakPolarHBondContact CD2-CD 3.05Å; H229-P234 VanDerWaalsContact CD2-CG 3.5Å; H229-P234 WeakPolarHBondContact CD2-CG 3.18Å; H229-N429 PolarHBondContact CE1-ND2 2.98Å
230V70.3Confident82.7Confident18 Ų1834.6 Ų34.611%0.10921%0.21CC..SBendtrans-129.6118.1-179.4175.90000108.7I352 F353 L439 F440V230-I352 HydrophobicContact CG1-CG2 3.57Å; V230-I352 HydrophobicContact CG2-CG2 4.16Å; V230-F353 HydrophobicContact CG2-CE1 4.14Å; V230-L439 HydrophobicContact CB-CD2 4.19Å; V230-L439 HydrophobicContact CG1-CD2 4.04Å; V230-F440 HydrophobicContact CG2-CB 4.21Å
231P66Low81.6Confident65 Ų6544.1 Ų44.142%0.42225%0.251SS..SBendcis-68.1167.5-0.531.5-36.3000112.8H229H229-P231 CarbonylContact C-O 3.57Å; H229-P231 PolarHBondContact CD2-O 3.42Å; H229-P231 CarbonylContact O-C 3.57Å
232A70.7Confident80.1Confident27 Ų2749.5 Ų49.522%0.22328%0.28CS..SBendtrans-68.1163.5-178.300000112.8F353A232-F353 HydrophobicContact CB-CB 3.7Å; A232-F353 HydrophobicContact CB-CD1 3.89Å; A232-F353 HydrophobicContact CB-CG 4.21Å; A232-F353 VanDerWaalsContact CB-O 3.32Å; A232-F353 WeakPolarHBondContact CB-O 2.99Å; A232-F353 PolarHBondContact N-O 2.86Å
233N74.8Confident78.9Confident106 Ų10653.5 Ų53.557%0.56730%0.298SS*.SBendtrans59.360.9179.6-55.6-41.2000113Y226Y226-N233 PolarHBondContact OH-OD1 3.17Å
234P78.8Confident77.9Confident14 Ų1455.2 Ų55.29%0.09131%0.308CS..PPolyproline II helixtrans-53.4146.2172.417.1-24.4000110.6L183 Y226 H229 I236L183-P234 HydrophobicContact CD1-CB 3.54Å; L183-P234 HydrophobicContact CD1-CG 3.49Å; L183-P234 VanDerWaalsContact CD1-CG 3.49Å; Y226-P234 HydrophobicContact CD2-CG 3.78Å; Y226-P234 HydrophobicContact CE2-CG 3.83Å; Y226-P234 HydrophobicContact CG-CG 4.24Å; H229-P234 HydrophobicContact CB-CB 4.29Å; H229-P234 HydrophobicContact CB-CG 3.61Å; H229-P234 WeakPolarHBondContact CD2-CB 3.22Å; H229-P234 VanDerWaalsContact CD2-CD 3.48Å; H229-P234 WeakPolarHBondContact CD2-CD 3.05Å; H229-P234 VanDerWaalsContact CD2-CG 3.5Å; H229-P234 WeakPolarHBondContact CD2-CG 3.18Å; P234-I236 PolarHBondContact O-N 2.6Å
235S76.5Confident76.8Confident112 Ų11260.1 Ų60.178%0.78334%0.342SS*.PPolyproline II helixtrans-64130.9164.454.10000109.6
236I83.7Confident76Confident13 Ų1364.1 Ų64.17%0.06738%0.375CS..PPolyproline II helixtrans-90122.7171.2-62.5168.2000107.5L183 F188 F222 Y226 P234 G238 L239 L244L183-I236 WeakPolarHBondContact O-CA 2.96Å; F188-I236 HydrophobicContact CB-CG2 4.35Å; F188-I236 HydrophobicContact CD2-CD1 3.93Å; F222-I236 HydrophobicContact CE2-CD1 4.36Å; F222-I236 HydrophobicContact CZ-CD1 3.8Å; F222-I236 HydrophobicContact CZ-CG1 4.41Å; Y226-I236 HydrophobicContact CD2-CD1 4.26Å; Y226-I236 HydrophobicContact CD2-CG1 4.38Å; Y226-I236 HydrophobicContact CE2-CD1 3.9Å; Y226-I236 HydrophobicContact CE2-CG1 4.09Å; P234-I236 PolarHBondContact O-N 2.6Å; I236-G238 PolarHBondContact O-N 3.42Å; I236-L239 HydrophobicContact CB-CB 3.84Å; I236-L239 HydrophobicContact CB-CD2 4.13Å; I236-L239 HydrophobicContact CD1-CD2 3.78Å; I236-L239 HydrophobicContact CG2-CB 3.84Å; I236-L239 HydrophobicContact CG2-CD2 4.32Å; I236-L239 PolarHBondContact O-N 3.23Å; I236-L239 VanDerWaalsContact O-N 3.16Å; I236-L244 HydrophobicContact CD1-CD1 3.5Å; I236-L244 VanDerWaalsContact CD1-CD1 3.5Å
237E82.4Confident75.8Confident64 Ų6467.3 Ų67.330%0.29939%0.389SS..BIsolated β-bridgetrans-62.4129.5-179.8-169.2175.9178.600110.8M111 N115 L183 N184 V185 L239M111-E237 HydrophobicContact CE-CB 4.27Å; M111-E237 HydrophobicContact CE-CG 3.92Å; M111-E237 WeakPolarHBondContact CE-OE2 3.47Å; M111-E237 HydrophobicContact SD-CG 3.96Å; N115-E237 PolarHBondContact ND2-OE1 3.03Å; L183-E237 PolarHBondContact O-N 3.25Å; N184-E237 CarbonylContact C-O 3.57Å; N184-E237 WeakPolarHBondContact CA-O 3.35Å; N184-E237 HydrophobicContact CB-CB 4.33Å; V185-E237 PolarHBondContact N-O 2.99Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 3.49Å
238G81.4Confident75.7Confident67 Ų6772.1 Ų72.169%0.69141%0.409SS*.THydrogen-bonded Turntrans82-2.5-177.400000115.6I236I236-G238 PolarHBondContact O-N 3.42Å
239L81.6Confident75.6Confident29 Ų2975.7 Ų75.715%0.15243%0.428CS..  trans-102.7137.8-179.5-153.880.5000112.2V185 F188 I236 E237 E243 L244V185-L239 HydrophobicContact CB-CD1 4.4Å; V185-L239 HydrophobicContact CG2-CD1 3.83Å; F188-L239 HydrophobicContact CD1-CD1 3.74Å; F188-L239 HydrophobicContact CD1-CD2 4.42Å; F188-L239 HydrophobicContact CD2-CD2 4.37Å; F188-L239 HydrophobicContact CE1-CD1 3.84Å; F188-L239 HydrophobicContact CE1-CD2 4.31Å; F188-L239 HydrophobicContact CE2-CD2 4.26Å; F188-L239 HydrophobicContact CG-CD1 4.35Å; F188-L239 HydrophobicContact CG-CD2 4.44Å; F188-L239 HydrophobicContact CZ-CD2 4.21Å; I236-L239 HydrophobicContact CB-CB 3.84Å; I236-L239 HydrophobicContact CB-CD2 4.13Å; I236-L239 HydrophobicContact CD1-CD2 3.78Å; I236-L239 HydrophobicContact CG2-CB 3.84Å; I236-L239 HydrophobicContact CG2-CD2 4.32Å; I236-L239 PolarHBondContact O-N 3.23Å; I236-L239 VanDerWaalsContact O-N 3.16Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 3.49Å; L239-E243 HydrophobicContact CD1-CB 4.26Å; L239-E243 WeakPolarHBondContact CD1-OE2 3.43Å; L239-E243 HydrophobicContact CD2-CB 4.2Å; L239-E243 HydrophobicContact CG-CB 4.06Å; L239-L244 HydrophobicContact CD2-CD1 4.49Å
240E75.8Confident75.9Confident133 Ų13374.1 Ų74.162%0.62142%0.421SS*.  trans-74.5143.7167.4-65.1-168.8175.300111.2N242 E243E240-N242 PolarHBondContact O-N 3.41Å; E240-E243 PolarHBondContact O-N 3.41Å; E240-E243 VanDerWaalsContact O-N 3.1Å
241K70.1Confident76.6Confident201 Ų20177.2 Ų77.287%0.87443%0.433SS*.Hα-helixtrans-55.3-25.5-179.6-72.8-175.6177.2-178.80114
242N58.6Low77.5Confident117 Ų11778.1 Ų78.163%0.62644%0.438SS*.Hα-helixtrans-75.5-28.2-177.5-64.3-23.1000112.9E240 L244 S245E240-N242 PolarHBondContact O-N 3.41Å; N242-L244 PolarHBondContact O-N 2.76Å; N242-S245 PolarHBondContact O-N 2.72Å; N242-S245 PolarHBondContact O-OG 3.42Å
243E67.8Low78.5Confident84 Ų8477.6 Ų77.639%0.39343%0.43SS..Hα-helixtrans-68.8-35.4-172.2-68.3-167.4173.200113.1L239 E240 S245 A246L239-E243 HydrophobicContact CD1-CB 4.26Å; L239-E243 WeakPolarHBondContact CD1-OE2 3.43Å; L239-E243 HydrophobicContact CD2-CB 4.2Å; L239-E243 HydrophobicContact CG-CB 4.06Å; E240-E243 PolarHBondContact O-N 3.41Å; E240-E243 VanDerWaalsContact O-N 3.1Å; E243-S245 VanDerWaalsContact C-N 3.26Å; E243-S245 PolarHBondContact O-N 3.4Å; E243-A246 PolarHBondContact O-N 2.84Å
244L71.7Confident79.3Confident37 Ų3772.9 Ų72.919%0.19441%0.405CS..Hα-helixtrans-63.9-34.8178.1-157105.8000111.6F188 Y226 I236 L239 N242 A246 K247F188-L244 HydrophobicContact CE2-CD1 4.1Å; Y226-L244 HydrophobicContact CE2-CD1 4.13Å; Y226-L244 VanDerWaalsContact OH-CD2 3.23Å; Y226-L244 WeakPolarHBondContact OH-CD2 3.36Å; I236-L244 HydrophobicContact CD1-CD1 3.5Å; I236-L244 VanDerWaalsContact CD1-CD1 3.5Å; L239-L244 HydrophobicContact CD2-CD1 4.49Å; N242-L244 PolarHBondContact O-N 2.76Å; L244-A246 PolarHBondContact O-N 3.06Å; L244-K247 PolarHBondContact O-N 2.89Å; L244-K247 VanDerWaalsContact O-N 3.14Å
245S67.8Low79.8Confident102 Ų10272.8 Ų72.871%0.71341%0.405SS*.Hα-helixtrans-66.5-22.9-179.474.20000113.9N242 E243N242-S245 PolarHBondContact O-N 2.72Å; N242-S245 PolarHBondContact O-OG 3.42Å; E243-S245 VanDerWaalsContact C-N 3.26Å; E243-S245 PolarHBondContact O-N 3.4Å
246A73.2Confident80.4Confident86 Ų8669.7 Ų69.771%0.71138%0.38SS*.THydrogen-bonded Turntrans-84.5-12.6177.300000113.1E243 L244E243-A246 PolarHBondContact O-N 2.84Å; L244-A246 PolarHBondContact O-N 3.06Å
247K83.4Confident80.7Confident79 Ų7969.1 Ų69.134%0.34338%0.376SS..SBendtrans-103.4166179.1-59.7-67-174.4165.70110.5F188 Y192 E193 L244F188-K247 HydrophobicContact CZ-CG 3.95Å; Y192-K247 HydrophobicContact CD1-CB 3.91Å; Y192-K247 HydrophobicContact CD1-CD 4.27Å; Y192-K247 HydrophobicContact CD1-CG 4.18Å; Y192-K247 HydrophobicContact CE1-CB 3.96Å; E193-K247 IonicContact OE1-NZ 2.76Å; L244-K247 PolarHBondContact O-N 2.89Å; L244-K247 VanDerWaalsContact O-N 3.14Å
248K87.7Confident81.2Confident120 Ų12066.1 Ų66.152%0.52236%0.362SS..PPolyproline II helixtrans-64.2144.5172.4-75.2-178.6172.5-178.80109.6Y192 Y253 D256Y192-K248 WeakPolarHBondContact CE1-O 3.47Å; Y192-K248 PolarHBondContact OH-O 3.43Å; K248-Y253 HydrophobicContact CB-CD2 4.38Å; K248-Y253 HydrophobicContact CD-CD2 4.19Å; K248-D256 IonicContact NZ-OD2 3.82Å; K248-D256 PolarHBondContact NZ-OD2 3.26Å
249D84.9Confident81.5Confident80 Ų8065.4 Ų65.443%0.42834%0.343SS..PPolyproline II helixtrans-58.5133.4174.6179.7-88.3000110.5K251 T252 Y253D249-K251 PolarHBondContact O-N 2.86Å; D249-K251 VanDerWaalsContact O-N 3.1Å; D249-K251 WeakPolarHBondContact OD1-CA 3.17Å; D249-K251 WeakPolarHBondContact OD1-CB 3.31Å; D249-K251 PolarHBondContact OD1-N 3.46Å; D249-T252 PolarHBondContact O-N 3.46Å; D249-T252 PolarHBondContact O-OG1 3.23Å; D249-Y253 PolarHBondContact O-N 3.24Å
250P87.3Confident81.9Confident2 Ų265 Ų651%0.01334%0.341CS..Hα-helixtrans-50.7-36.8-177.8-31.137.6000114.5Y192 L223 Y226 I227 T252 Y253 I254Y192-P250 VanDerWaalsContact OH-CA 3.28Å; Y192-P250 WeakPolarHBondContact OH-CA 3.46Å; Y192-P250 WeakPolarHBondContact OH-CG 3.11Å; L223-P250 HydrophobicContact CD2-CB 4.07Å; Y226-P250 HydrophobicContact CD1-CB 3.67Å; Y226-P250 HydrophobicContact CD1-CG 3.49Å; Y226-P250 VanDerWaalsContact CD1-CG 3.49Å; Y226-P250 HydrophobicContact CE1-CB 4.13Å; Y226-P250 HydrophobicContact CE1-CG 3.52Å; Y226-P250 HydrophobicContact CG-CB 4.28Å; Y226-P250 HydrophobicContact CG-CG 4.09Å; I227-P250 HydrophobicContact CG1-CB 4.02Å; P250-T252 VanDerWaalsContact C-N 3.29Å; P250-T252 PolarHBondContact O-N 3.14Å; P250-Y253 PolarHBondContact O-N 3.18Å; P250-I254 PolarHBondContact O-N 2.93Å; P250-I254 VanDerWaalsContact O-N 3.08Å
251K84.3Confident82.6Confident84 Ų8458.7 Ų58.737%0.36531%0.311SS..Hα-helixtrans-63.1-36.8177.8-170179.8-178.71730112.1D249 I254D249-K251 PolarHBondContact O-N 2.86Å; D249-K251 VanDerWaalsContact O-N 3.1Å; D249-K251 WeakPolarHBondContact OD1-CA 3.17Å; D249-K251 WeakPolarHBondContact OD1-CB 3.31Å; D249-K251 PolarHBondContact OD1-N 3.46Å; K251-I254 WeakPolarHBondContact O-CG2 3.41Å
252T85.7Confident83.6Confident84 Ų8449.6 Ų49.652%0.51527%0.274SS..Hα-helixtrans-82.7-32.7177.263.20000112.5D249 P250D249-T252 PolarHBondContact O-N 3.46Å; D249-T252 PolarHBondContact O-OG1 3.23Å; P250-T252 VanDerWaalsContact C-N 3.29Å; P250-T252 PolarHBondContact O-N 3.14Å
253Y91.4Very high84.9Confident16 Ų1649.1 Ų49.16%0.06327%0.268CS..Hα-helixtrans-77.8-25.9-174.3-175.7-117.5000113.6A191 Y192 P196 L223 K248 D249 P250 A255 D256 C257 M260A191-Y253 WeakPolarHBondContact O-CE1 3.24Å; A191-Y253 PolarHBondContact O-OH 2.68Å; Y192-Y253 AromaticContact CD1-CD1 3.89Å; Y192-Y253 HydrophobicContact CD1-CD1 3.89Å; Y192-Y253 AromaticContact CD1-CE1 3.73Å; Y192-Y253 HydrophobicContact CD1-CE1 3.73Å; Y192-Y253 HydrophobicContact CD1-CG 4.38Å; Y192-Y253 AromaticContact CE1-CD1 3.33Å; Y192-Y253 HydrophobicContact CE1-CD1 3.33Å; Y192-Y253 HydrophobicContact CE1-CD2 4.31Å; Y192-Y253 AromaticContact CE1-CE1 3.7Å; Y192-Y253 HydrophobicContact CE1-CE1 3.7Å; Y192-Y253 AromaticContact CE1-CG 3.67Å; Y192-Y253 HydrophobicContact CE1-CG 3.67Å; Y192-Y253 HydrophobicContact CE2-CD1 4.27Å; Y192-Y253 HydrophobicContact CG-CE1 4.17Å; Y192-Y253 AromaticContact CZ-CD1 3.55Å; P196-Y253 VanDerWaalsContact CG-OH 3.24Å; P196-Y253 WeakPolarHBondContact CG-OH 3.35Å; L223-Y253 HydrophobicContact CD1-CD1 3.98Å; L223-Y253 HydrophobicContact CD1-CE1 4.33Å; L223-Y253 HydrophobicContact CD2-CD1 3.98Å; K248-Y253 HydrophobicContact CB-CD2 4.38Å; K248-Y253 HydrophobicContact CD-CD2 4.19Å; D249-Y253 PolarHBondContact O-N 3.24Å; P250-Y253 PolarHBondContact O-N 3.18Å; Y253-A255 PolarHBondContact O-N 2.68Å; Y253-D256 HydrophobicContact CD2-CB 4.05Å; Y253-D256 HydrophobicContact CE2-CB 4.26Å; Y253-D256 WeakPolarHBondContact O-CB 3.43Å; Y253-D256 PolarHBondContact O-N 3.44Å; Y253-D256 VanDerWaalsContact O-N 3.08Å; Y253-C257 PolarHBondContact O-N 2.84Å; Y253-M260 HydrophobicContact CE2-CE 4.15Å
254I91.2Very high85.9Confident7 Ų746.2 Ų46.24%0.03626%0.255CS..Hα-helixtrans-57.3-35179.1-166.2170.5000112.8L223 V224 I227 P250 K251 C257 L258 Y335L223-I254 HydrophobicContact CB-CB 4.49Å; L223-I254 HydrophobicContact CB-CD1 4.27Å; L223-I254 HydrophobicContact CB-CG1 4.3Å; L223-I254 HydrophobicContact CD1-CB 4.33Å; L223-I254 HydrophobicContact CD1-CG1 4.36Å; V224-I254 HydrophobicContact CG2-CD1 3.82Å; I227-I254 HydrophobicContact CD1-CB 4.11Å; I227-I254 HydrophobicContact CD1-CD1 3.93Å; I227-I254 HydrophobicContact CD1-CG2 4.08Å; P250-I254 PolarHBondContact O-N 2.93Å; P250-I254 VanDerWaalsContact O-N 3.08Å; K251-I254 WeakPolarHBondContact O-CG2 3.41Å; I254-C257 WeakPolarHBondContact O-CB 3.46Å; I254-C257 PolarHBondContact O-N 3.16Å; I254-L258 HydrophobicContact CG1-CD1 4.44Å; I254-L258 VanDerWaalsContact O-CG 3.26Å; I254-L258 WeakPolarHBondContact O-CG 3.49Å; I254-L258 PolarHBondContact O-N 2.86Å; I254-Y335 HydrophobicContact CD1-CD2 4.39Å; I254-Y335 HydrophobicContact CG1-CD2 4.37Å; I254-Y335 HydrophobicContact CG2-CD2 3.95Å; I254-Y335 HydrophobicContact CG2-CE2 3.85Å
255A88.9Confident86.6Confident11 Ų1146 Ų469%0.09125%0.254CS..Hα-helixtrans-65.2-43.9175.300000112.5Y253 C257 L258 N259 F274Y253-A255 PolarHBondContact O-N 2.68Å; A255-C257 VanDerWaalsContact C-N 3.3Å; A255-C257 PolarHBondContact O-N 2.93Å; A255-L258 PolarHBondContact O-N 3.44Å; A255-N259 PolarHBondContact O-N 3.28Å; A255-N259 VanDerWaalsContact O-N 3.08Å; A255-N259 PolarHBondContact O-ND2 3.49Å; A255-F274 HydrophobicContact CB-CB 3.78Å; A255-F274 HydrophobicContact CB-CG 4.25Å
256D88.8Confident87.3Confident48 Ų4848.2 Ų48.226%0.25725%0.253SS..Hα-helixtrans-62.1-41.4174.2-69.1-23.7000110.8K248 Y253 N259 M260K248-D256 IonicContact NZ-OD2 3.82Å; K248-D256 PolarHBondContact NZ-OD2 3.26Å; Y253-D256 HydrophobicContact CD2-CB 4.05Å; Y253-D256 HydrophobicContact CE2-CB 4.26Å; Y253-D256 WeakPolarHBondContact O-CB 3.43Å; Y253-D256 PolarHBondContact O-N 3.44Å; Y253-D256 VanDerWaalsContact O-N 3.08Å; D256-N259 PolarHBondContact O-N 2.88Å; D256-M260 WeakPolarHBondContact O-CG 3.41Å; D256-M260 PolarHBondContact O-N 3.19Å
257C91.6Very high87.9Confident0 Ų044.6 Ų44.60%022%0.221CC..Hα-helixtrans-59.2-48.2176.1-1770000111.5L195 L223 Y253 I254 A255 N259 M260 V261L195-C257 HydrophobicContact CD2-CB 4.28Å; L195-C257 WeakPolarHBondContact CD2-SG 3.39Å; L223-C257 HydrophobicContact CD1-CB 3.68Å; Y253-C257 PolarHBondContact O-N 2.84Å; I254-C257 WeakPolarHBondContact O-CB 3.46Å; I254-C257 PolarHBondContact O-N 3.16Å; A255-C257 VanDerWaalsContact C-N 3.3Å; A255-C257 PolarHBondContact O-N 2.93Å; C257-N259 VanDerWaalsContact C-N 3.33Å; C257-N259 PolarHBondContact O-N 2.83Å; C257-M260 PolarHBondContact O-N 2.84Å; C257-V261 WeakPolarHBondContact O-CB 3.34Å; C257-V261 VanDerWaalsContact O-CG2 3.26Å; C257-V261 WeakPolarHBondContact O-CG2 3.45Å; C257-V261 PolarHBondContact O-N 3.44Å
258L91.1Very high87.3Confident1 Ų144.3 Ų44.31%0.00523%0.227CC..Hα-helixtrans-62.4-38.8178-69.6168.5000112.3I220 I254 A255 V261 G262 W267 F274 C331 Y335I220-L258 HydrophobicContact CD1-CD2 4.05Å; I254-L258 HydrophobicContact CG1-CD1 4.44Å; I254-L258 VanDerWaalsContact O-CG 3.26Å; I254-L258 WeakPolarHBondContact O-CG 3.49Å; I254-L258 PolarHBondContact O-N 2.86Å; A255-L258 PolarHBondContact O-N 3.44Å; L258-V261 PolarHBondContact O-N 3.33Å; L258-G262 PolarHBondContact O-N 3.28Å; L258-W267 HydrophobicContact CD2-CH2 3.95Å; L258-F274 HydrophobicContact CB-CE2 3.64Å; L258-F274 HydrophobicContact CB-CZ 3.72Å; L258-F274 HydrophobicContact CD1-CE1 3.92Å; L258-F274 HydrophobicContact CD1-CE2 4.38Å; L258-F274 HydrophobicContact CD1-CZ 3.8Å; L258-F274 HydrophobicContact CG-CZ 4.37Å; L258-C331 HydrophobicContact CD2-CB 3.73Å; L258-Y335 HydrophobicContact CD1-CD1 4.36Å; L258-Y335 HydrophobicContact CD1-CD2 3.45Å; L258-Y335 VanDerWaalsContact CD1-CD2 3.45Å; L258-Y335 HydrophobicContact CD1-CE2 4.15Å; L258-Y335 HydrophobicContact CD1-CG 3.56Å
259N88.8Confident86.3Confident53 Ų5341.3 Ų41.328%0.28322%0.217SC..Hα-helixtrans-62.4-47.8174.3-76-31.4000111.8A255 D256 C257 V261 G262 H263 F272 F274A255-N259 PolarHBondContact O-N 3.28Å; A255-N259 VanDerWaalsContact O-N 3.08Å; A255-N259 PolarHBondContact O-ND2 3.49Å; D256-N259 PolarHBondContact O-N 2.88Å; C257-N259 VanDerWaalsContact C-N 3.33Å; C257-N259 PolarHBondContact O-N 2.83Å; N259-V261 PolarHBondContact O-N 3.36Å; N259-G262 PolarHBondContact O-N 3.32Å; N259-H263 PolarHBondContact O-CD2 2.87Å; N259-H263 PolarHBondContact O-N 3.38Å; N259-H263 VanDerWaalsContact O-N 3.1Å; N259-F272 PolarHBondContact OD1-O 3.38Å; N259-F274 VanDerWaalsContact OD1-CD2 3.31Å; N259-F274 WeakPolarHBondContact OD1-CD2 3.2Å; N259-F274 WeakPolarHBondContact OD1-CE2 3.12Å
260M90.7Very high85Confident21 Ų2140.8 Ų40.810%0.10322%0.223CC..Hα-helixtrans-59.7-47177.2-72.4-173.9-72.900111.4L195 P196 Y199 Y253 D256 C257 H263 L264L195-M260 HydrophobicContact CD2-CE 4.17Å; L195-M260 HydrophobicContact CG-CE 4.37Å; P196-M260 HydrophobicContact CB-SD 4.39Å; P196-M260 HydrophobicContact CG-CE 4.33Å; P196-M260 HydrophobicContact CG-SD 4.37Å; Y199-M260 HydrophobicContact CD1-CG 3.79Å; Y199-M260 HydrophobicContact CD1-SD 4.08Å; Y199-M260 HydrophobicContact CD2-CB 4.04Å; Y199-M260 HydrophobicContact CD2-CG 4.05Å; Y199-M260 HydrophobicContact CE1-CG 4.27Å; Y199-M260 HydrophobicContact CG-CB 4.01Å; Y199-M260 HydrophobicContact CG-CG 3.67Å; Y199-M260 HydrophobicContact CG-SD 4.13Å; Y253-M260 HydrophobicContact CE2-CE 4.15Å; D256-M260 WeakPolarHBondContact O-CG 3.41Å; D256-M260 PolarHBondContact O-N 3.19Å; C257-M260 PolarHBondContact O-N 2.84Å; M260-H263 PolarHBondContact O-N 3.22Å; M260-L264 WeakPolarHBondContact O-CB 3.26Å; M260-L264 VanDerWaalsContact O-CG 3.26Å; M260-L264 WeakPolarHBondContact O-CG 3.2Å; M260-L264 PolarHBondContact O-N 2.87Å
261V90.5Very high83.4Confident0 Ų046.2 Ų46.20%026%0.257CS..Hα-helixtrans-64.2-41.3179.2171.60000111.6L195 I220 C257 L258 N259 H263 L264 L265 W267 F327L195-V261 HydrophobicContact CD1-CG2 4.01Å; L195-V261 HydrophobicContact CD2-CG2 4.15Å; I220-V261 HydrophobicContact CD1-CB 4.43Å; I220-V261 HydrophobicContact CD1-CG1 4.13Å; I220-V261 HydrophobicContact CD1-CG2 4.15Å; I220-V261 HydrophobicContact CG1-CG2 4.48Å; C257-V261 WeakPolarHBondContact O-CB 3.34Å; C257-V261 VanDerWaalsContact O-CG2 3.26Å; C257-V261 WeakPolarHBondContact O-CG2 3.45Å; C257-V261 PolarHBondContact O-N 3.44Å; L258-V261 PolarHBondContact O-N 3.33Å; N259-V261 PolarHBondContact O-N 3.36Å; V261-H263 VanDerWaalsContact C-N 3.33Å; V261-H263 PolarHBondContact O-N 3.41Å; V261-L264 PolarHBondContact O-N 3.44Å; V261-L265 HydrophobicContact CG1-CD1 3.77Å; V261-L265 HydrophobicContact CG1-CG 4.34Å; V261-L265 WeakPolarHBondContact O-CB 3.33Å; V261-L265 PolarHBondContact O-N 3.24Å; V261-W267 HydrophobicContact CG1-CH2 4.38Å; V261-W267 HydrophobicContact CG1-CZ2 3.74Å; V261-F327 HydrophobicContact CG1-CE1 3.71Å
262G89.2Confident82.4Confident10 Ų1043 Ų4310%0.10324%0.242CC..Hα-helixtrans-62.9-38.2178.100000113.3L258 N259 Q266 W267L258-G262 PolarHBondContact O-N 3.28Å; N259-G262 PolarHBondContact O-N 3.32Å; G262-Q266 PolarHBondContact O-N 3.05Å; G262-W267 VanDerWaalsContact CA-CE3 3.47Å; G262-W267 PolarHBondContact O-N 2.81Å
263H86.9Confident81.2Confident106 Ų10642.7 Ų42.749%0.49124%0.238SC..Hα-helixtrans-66.7-48.2170.5-79.4-66.4000112.3Y199 N259 M260 V261 L265 Q266Y199-H263 HydrophobicContact CD2-CB 4.25Å; Y199-H263 HydrophobicContact CE2-CB 3.63Å; Y199-H263 AromaticContact CE2-CD2 3.92Å; Y199-H263 AromaticContact CE2-CG 3.94Å; N259-H263 PolarHBondContact O-CD2 2.87Å; N259-H263 PolarHBondContact O-N 3.38Å; N259-H263 VanDerWaalsContact O-N 3.1Å; M260-H263 PolarHBondContact O-N 3.22Å; V261-H263 VanDerWaalsContact C-N 3.33Å; V261-H263 PolarHBondContact O-N 3.41Å; H263-L265 PolarHBondContact O-N 2.82Å; H263-Q266 PolarHBondContact O-N 3.2Å
264L87.9Confident79.9Confident24 Ų2443.3 Ų43.313%0.12624%0.241CC..Hα-helixtrans-60.9-41.8-176.9-81172.5000113.1L195 A198 Y199 S202 I212 M260 V261L195-L264 HydrophobicContact CD1-CD1 3.67Å; A198-L264 HydrophobicContact CB-CD1 4.4Å; Y199-L264 HydrophobicContact CD2-CG 4.3Å; S202-L264 VanDerWaalsContact CB-CD2 3.42Å; I212-L264 HydrophobicContact CD1-CD2 4.28Å; I212-L264 HydrophobicContact CG2-CB 3.74Å; I212-L264 HydrophobicContact CG2-CD1 4.24Å; I212-L264 HydrophobicContact CG2-CD2 4.14Å; I212-L264 HydrophobicContact CG2-CG 4.27Å; M260-L264 WeakPolarHBondContact O-CB 3.26Å; M260-L264 VanDerWaalsContact O-CG 3.26Å; M260-L264 WeakPolarHBondContact O-CG 3.2Å; M260-L264 PolarHBondContact O-N 2.87Å; V261-L264 PolarHBondContact O-N 3.44Å
265L86.6Confident78.4Confident33 Ų3348.5 Ų48.517%0.17327%0.273CS..THydrogen-bonded Turntrans-95.47.8-178.2-62.6179.3000113.3I212 Y213 V261 H263 W267 F327I212-L265 HydrophobicContact CG2-CD2 3.92Å; Y213-L265 HydrophobicContact CD2-CD1 4.24Å; V261-L265 HydrophobicContact CG1-CD1 3.77Å; V261-L265 HydrophobicContact CG1-CG 4.34Å; V261-L265 WeakPolarHBondContact O-CB 3.33Å; V261-L265 PolarHBondContact O-N 3.24Å; H263-L265 PolarHBondContact O-N 2.82Å; L265-W267 VanDerWaalsContact C-N 3.34Å; L265-W267 PolarHBondContact O-N 3Å; L265-F327 HydrophobicContact CD1-CD1 3.51Å; L265-F327 HydrophobicContact CD1-CE1 3.32Å; L265-F327 HydrophobicContact CD1-CG 4.5Å; L265-F327 HydrophobicContact CD1-CZ 4.19Å
266Q83.5Confident76.7Confident147 Ų14749.4 Ų49.469%0.68728%0.279SS*.THydrogen-bonded Turntrans53.350.2176.7-57.2178.9-15.800112.1G262 H263G262-Q266 PolarHBondContact O-N 3.05Å; H263-Q266 PolarHBondContact O-N 3.2Å
267W84.6Confident74.9Confident11 Ų1153.1 Ų53.14%0.04231%0.309CS..  trans-55.7133178.1-74.8-0.4000110.5L258 V261 G262 L265 I269 F272 F327 Q328 C331L258-W267 HydrophobicContact CD2-CH2 3.95Å; V261-W267 HydrophobicContact CG1-CH2 4.38Å; V261-W267 HydrophobicContact CG1-CZ2 3.74Å; G262-W267 VanDerWaalsContact CA-CE3 3.47Å; G262-W267 PolarHBondContact O-N 2.81Å; L265-W267 VanDerWaalsContact C-N 3.34Å; L265-W267 PolarHBondContact O-N 3Å; W267-I269 PolarHBondContact O-N 3.18Å; W267-I269 VanDerWaalsContact O-N 3.17Å; W267-F272 HydrophobicContact CE3-CE2 4.42Å; W267-F327 HydrophobicContact CZ2-CD1 4.02Å; W267-F327 HydrophobicContact CZ2-CE1 4.08Å; W267-F327 AromaticContact NE1-CD1 3.75Å; W267-Q328 HydrophobicContact CB-CG 4.4Å; W267-Q328 HydrophobicContact CD2-CB 3.75Å; W267-Q328 HydrophobicContact CD2-CG 3.64Å; W267-Q328 HydrophobicContact CE3-CB 4.29Å; W267-Q328 HydrophobicContact CE3-CG 3.7Å; W267-Q328 HydrophobicContact CG-CB 3.91Å; W267-Q328 HydrophobicContact CG-CG 3.98Å; W267-Q328 HydrophobicContact CZ2-CB 4.38Å; W267-Q328 HydrophobicContact CZ3-CG 4.24Å; W267-C331 HydrophobicContact CH2-CB 3.73Å; W267-C331 HydrophobicContact CZ2-CB 4Å
268P72.6Confident73.4Confident73 Ų7357.8 Ų57.847%0.47433%0.329SS..SBendtrans-60.2-27.9-177.816.2-27.8000113.3I325P268-I325 HydrophobicContact CG-CD1 4.32Å; P268-I325 HydrophobicContact CG-CG1 3.49Å; P268-I325 VanDerWaalsContact CG-CG1 3.49Å
269I66.4Low72.5Confident57 Ų5762 Ų6229%0.29236%0.355SS..SBendtrans-100.291.4172.5-42.3-170000108.4W267 T271 F272 L290 Q328W267-I269 PolarHBondContact O-N 3.18Å; W267-I269 VanDerWaalsContact O-N 3.17Å; I269-T271 VanDerWaalsContact C-N 3.25Å; I269-T271 PolarHBondContact O-N 3.47Å; I269-F272 HydrophobicContact CB-CE2 4.06Å; I269-F272 HydrophobicContact CB-CZ 4.07Å; I269-F272 HydrophobicContact CG2-CE2 4.22Å; I269-F272 HydrophobicContact CG2-CZ 4.06Å; I269-L290 HydrophobicContact CD1-CD2 3.45Å; I269-L290 VanDerWaalsContact CD1-CD2 3.45Å; I269-L290 HydrophobicContact CD1-CG 4.35Å; I269-L290 HydrophobicContact CG1-CD2 4.24Å; I269-Q328 VanDerWaalsContact CB-NE2 3.33Å
270A56.5Low72.2Confident69 Ų6962 Ų6257%0.5736%0.357SS*.  trans-73-4.3-166.700000115.8
271T54.4Low72Confident116 Ų11663.8 Ų63.871%0.71237%0.371SS*.  trans-146.585.2-171.743.40000112I269 D273I269-T271 VanDerWaalsContact C-N 3.25Å; I269-T271 PolarHBondContact O-N 3.47Å; T271-D273 PolarHBondContact O-N 2.93Å
272F62.2Low71.7Confident15 Ų1567.6 Ų67.67%0.06639%0.386CS..  trans-84.1109.8156.5-65.9-86.3000107.2N259 W267 I269 F274 L290 Q328 M332N259-F272 PolarHBondContact OD1-O 3.38Å; W267-F272 HydrophobicContact CE3-CE2 4.42Å; I269-F272 HydrophobicContact CB-CE2 4.06Å; I269-F272 HydrophobicContact CB-CZ 4.07Å; I269-F272 HydrophobicContact CG2-CE2 4.22Å; I269-F272 HydrophobicContact CG2-CZ 4.06Å; F272-F274 HydrophobicContact CB-CD1 4.1Å; F272-F274 HydrophobicContact CB-CD2 3.76Å; F272-F274 HydrophobicContact CB-CE1 3.74Å; F272-F274 HydrophobicContact CB-CE2 3.37Å; F272-F274 HydrophobicContact CB-CG 4.11Å; F272-F274 HydrophobicContact CB-CZ 3.35Å; F272-F274 HydrophobicContact CD2-CZ 4.12Å; F272-F274 HydrophobicContact CG-CE1 4.18Å; F272-F274 HydrophobicContact CG-CE2 4.22Å; F272-F274 AromaticContact CG-CZ 3.78Å; F272-F274 HydrophobicContact CG-CZ 3.78Å; F272-F274 WeakPolarHBondContact O-CD2 3.29Å; F272-F274 PolarHBondContact O-N 3.44Å; F272-L290 HydrophobicContact CE1-CD1 4.08Å; F272-L290 HydrophobicContact CZ-CD1 3.7Å; F272-Q328 HydrophobicContact CE2-CG 4.45Å; F272-Q328 VanDerWaalsContact CZ-NE2 3.3Å; F272-M332 HydrophobicContact CD1-CE 3.69Å; F272-M332 HydrophobicContact CD1-SD 3.95Å; F272-M332 HydrophobicContact CD2-SD 4.25Å; F272-M332 HydrophobicContact CE1-CE 3.74Å; F272-M332 HydrophobicContact CE1-CG 4.32Å; F272-M332 HydrophobicContact CE1-SD 3.97Å; F272-M332 HydrophobicContact CE2-SD 4.32Å; F272-M332 HydrophobicContact CG-CE 4.37Å; F272-M332 HydrophobicContact CG-SD 4.1Å; F272-M332 HydrophobicContact CZ-CE 4.5Å; F272-M332 HydrophobicContact CZ-CG 4.19Å; F272-M332 HydrophobicContact CZ-SD 4.21Å
273D61.5Low71.5Confident78 Ų7868.4 Ų68.442%0.41739%0.388SS..  trans-76.480.2164.8-168.7-10000108.4T271 T275 S276T271-D273 PolarHBondContact O-N 2.93Å; D273-T275 PolarHBondContact O-N 3.33Å; D273-T275 PolarHBondContact OD1-N 3.29Å; D273-T275 PolarHBondContact OD1-OG1 2.7Å; D273-S276 WeakPolarHBondContact CB-OG 3.35Å; D273-S276 PolarHBondContact O-N 3.3Å; D273-S276 PolarHBondContact O-OG 3.32Å; D273-S276 PolarHBondContact OD1-N 3.28Å; D273-S276 WeakPolarHBondContact OD2-CB 3.15Å
274F65Low71.6Confident29 Ų2963.4 Ų63.413%0.12737%0.365CS..SBendtrans-63.6-21.3174.8-62.6-73.5000112.2A255 L258 N259 F272 M332 Y335A255-F274 HydrophobicContact CB-CB 3.78Å; A255-F274 HydrophobicContact CB-CG 4.25Å; L258-F274 HydrophobicContact CB-CE2 3.64Å; L258-F274 HydrophobicContact CB-CZ 3.72Å; L258-F274 HydrophobicContact CD1-CE1 3.92Å; L258-F274 HydrophobicContact CD1-CE2 4.38Å; L258-F274 HydrophobicContact CD1-CZ 3.8Å; L258-F274 HydrophobicContact CG-CZ 4.37Å; N259-F274 VanDerWaalsContact OD1-CD2 3.31Å; N259-F274 WeakPolarHBondContact OD1-CD2 3.2Å; N259-F274 WeakPolarHBondContact OD1-CE2 3.12Å; F272-F274 HydrophobicContact CB-CD1 4.1Å; F272-F274 HydrophobicContact CB-CD2 3.76Å; F272-F274 HydrophobicContact CB-CE1 3.74Å; F272-F274 HydrophobicContact CB-CE2 3.37Å; F272-F274 HydrophobicContact CB-CG 4.11Å; F272-F274 HydrophobicContact CB-CZ 3.35Å; F272-F274 HydrophobicContact CD2-CZ 4.12Å; F272-F274 HydrophobicContact CG-CE1 4.18Å; F272-F274 HydrophobicContact CG-CE2 4.22Å; F272-F274 AromaticContact CG-CZ 3.78Å; F272-F274 HydrophobicContact CG-CZ 3.78Å; F272-F274 WeakPolarHBondContact O-CD2 3.29Å; F272-F274 PolarHBondContact O-N 3.44Å; F274-M332 HydrophobicContact CE1-CE 3.87Å; F274-M332 HydrophobicContact CE1-SD 3.51Å; F274-M332 VanDerWaalsContact CE1-SD 3.51Å; F274-M332 HydrophobicContact CZ-CE 4.5Å; F274-M332 HydrophobicContact CZ-SD 3.61Å; F274-Y335 HydrophobicContact CD1-CD1 4.14Å; F274-Y335 AromaticContact CD1-CE1 3.57Å; F274-Y335 HydrophobicContact CD1-CE1 3.57Å; F274-Y335 HydrophobicContact CD1-CE2 4.49Å; F274-Y335 AromaticContact CD1-CZ 3.77Å; F274-Y335 AromaticContact CE1-CD1 3.98Å; F274-Y335 HydrophobicContact CE1-CD1 3.98Å; F274-Y335 AromaticContact CE1-CE1 3.91Å; F274-Y335 HydrophobicContact CE1-CE1 3.91Å
275T59.2Low71.7Confident116 Ų11666.3 Ų66.371%0.71238%0.377SS*.SBendtrans-87.2-22.4178.151.40000113.4D273 S277D273-T275 PolarHBondContact O-N 3.33Å; D273-T275 PolarHBondContact OD1-N 3.29Å; D273-T275 PolarHBondContact OD1-OG1 2.7Å; T275-S277 PolarHBondContact O-N 3.03Å
276S53.7Low71.7Confident31 Ų3166.4 Ų66.422%0.21738%0.377CS..SBendtrans-60.4135.617754.80000108.7D273 K278D273-S276 WeakPolarHBondContact CB-OG 3.35Å; D273-S276 PolarHBondContact O-N 3.3Å; D273-S276 PolarHBondContact O-OG 3.32Å; D273-S276 PolarHBondContact OD1-N 3.28Å; D273-S276 WeakPolarHBondContact OD2-CB 3.15Å; S276-K278 PolarHBondContact O-N 3.46Å; S276-K278 WeakPolarHBondContact OG-CD 3.49Å; S276-K278 VanDerWaalsContact OG-CE 3.22Å; S276-K278 WeakPolarHBondContact OG-CE 3.34Å; S276-K278 VanDerWaalsContact OG-CG 3.23Å; S276-K278 WeakPolarHBondContact OG-CG 3.31Å
277S50.2Low72Confident126 Ų12659.4 Ų59.488%0.88134%0.344SS*.  trans-63.435.9172.262.20000113.1T275T275-S277 PolarHBondContact O-N 3.03Å
278K59.9Low72.3Confident97 Ų9763 Ų6342%0.42236%0.358SS..  trans-68.7144.9177.4-74.4178.5-170.1170.80109S276 Y282S276-K278 PolarHBondContact O-N 3.46Å; S276-K278 WeakPolarHBondContact OG-CD 3.49Å; S276-K278 VanDerWaalsContact OG-CE 3.22Å; S276-K278 WeakPolarHBondContact OG-CE 3.34Å; S276-K278 VanDerWaalsContact OG-CG 3.23Å; S276-K278 WeakPolarHBondContact OG-CG 3.31Å; K278-Y282 HydrophobicContact CB-CD1 3.89Å; K278-Y282 HydrophobicContact CB-CE1 4.47Å; K278-Y282 HydrophobicContact CB-CG 4.19Å; K278-Y282 HydrophobicContact CD-CD1 3.56Å; K278-Y282 HydrophobicContact CD-CD2 4.28Å; K278-Y282 HydrophobicContact CD-CE1 3.31Å; K278-Y282 HydrophobicContact CD-CE2 4.04Å; K278-Y282 HydrophobicContact CD-CG 4.03Å; K278-Y282 HydrophobicContact CG-CD1 4.3Å; K278-Y282 HydrophobicContact CG-CE1 4.48Å; K278-Y282 PolarHBondContact NZ-OH 3.16Å
279T73Confident73.1Confident90 Ų9063 Ų6355%0.55235%0.354SS*.  trans-63.8147.7-17650.60000111S281 Y282T279-S281 WeakPolarHBondContact CB-OG 3.36Å; T279-S281 PolarHBondContact O-N 3.4Å; T279-S281 PolarHBondContact OG1-OG 3.39Å; T279-Y282 VanDerWaalsContact O-CB 3.3Å; T279-Y282 WeakPolarHBondContact O-CB 3.45Å; T279-Y282 PolarHBondContact O-N 3.29Å
280V82.6Confident74.2Confident53 Ų5360.4 Ų60.432%0.32134%0.34SS..Hα-helixtrans-45.5-41.3173.2166.30000112Y282 L283 V284 L340 L393 H396V280-Y282 VanDerWaalsContact C-N 3.27Å; V280-Y282 PolarHBondContact O-N 3.12Å; V280-L283 PolarHBondContact O-N 2.93Å; V280-L283 VanDerWaalsContact O-N 3.14Å; V280-V284 HydrophobicContact CG1-CG2 4.41Å; V280-V284 WeakPolarHBondContact O-CG2 3.37Å; V280-V284 PolarHBondContact O-N 3.01Å; V280-V284 VanDerWaalsContact O-N 3.12Å; V280-L340 HydrophobicContact CB-CD2 4.25Å; V280-L340 HydrophobicContact CG1-CD1 4.17Å; V280-L340 HydrophobicContact CG1-CD2 3.41Å; V280-L340 VanDerWaalsContact CG1-CD2 3.41Å; V280-L340 HydrophobicContact CG1-CG 4.44Å; V280-L340 HydrophobicContact CG2-CD2 3.95Å; V280-L393 HydrophobicContact CG1-CD2 4.48Å; V280-L393 HydrophobicContact CG2-CD2 4.21Å; V280-H396 HydrophobicContact CG1-CB 3.89Å; V280-H396 WeakPolarHBondContact CG1-CD2 2.94Å
281S84.8Confident75.8Confident58 Ų5857.2 Ų57.241%0.40631%0.314SS..Hα-helixtrans-57.3-35177.257.80000114.2T279 Q285T279-S281 WeakPolarHBondContact CB-OG 3.36Å; T279-S281 PolarHBondContact O-N 3.4Å; T279-S281 PolarHBondContact OG1-OG 3.39Å; S281-Q285 WeakPolarHBondContact O-CB 3.24Å; S281-Q285 PolarHBondContact O-N 3.39Å
282Y85.1Confident77.4Confident81 Ų8159.1 Ų59.132%0.31831%0.308SS..Hα-helixtrans-67.2-44.3177.2172.2-91000110.9K278 T279 V280 Q285 Q286K278-Y282 HydrophobicContact CB-CD1 3.89Å; K278-Y282 HydrophobicContact CB-CE1 4.47Å; K278-Y282 HydrophobicContact CB-CG 4.19Å; K278-Y282 HydrophobicContact CD-CD1 3.56Å; K278-Y282 HydrophobicContact CD-CD2 4.28Å; K278-Y282 HydrophobicContact CD-CE1 3.31Å; K278-Y282 HydrophobicContact CD-CE2 4.04Å; K278-Y282 HydrophobicContact CD-CG 4.03Å; K278-Y282 HydrophobicContact CG-CD1 4.3Å; K278-Y282 HydrophobicContact CG-CE1 4.48Å; K278-Y282 PolarHBondContact NZ-OH 3.16Å; T279-Y282 VanDerWaalsContact O-CB 3.3Å; T279-Y282 WeakPolarHBondContact O-CB 3.45Å; T279-Y282 PolarHBondContact O-N 3.29Å; V280-Y282 VanDerWaalsContact C-N 3.27Å; V280-Y282 PolarHBondContact O-N 3.12Å; Y282-Q285 PolarHBondContact O-N 3.08Å; Y282-Q286 HydrophobicContact CD1-CG 3.87Å; Y282-Q286 HydrophobicContact CD2-CG 4.4Å; Y282-Q286 HydrophobicContact CE1-CG 3.56Å; Y282-Q286 HydrophobicContact CE2-CG 4.17Å; Y282-Q286 HydrophobicContact CG-CG 4.29Å; Y282-Q286 WeakPolarHBondContact O-CB 2.98Å; Y282-Q286 WeakPolarHBondContact O-CG 3.33Å; Y282-Q286 PolarHBondContact O-N 3.08Å; Y282-Q286 PolarHBondContact OH-NE2 3.32Å
283L85.6Confident78.6Confident26 Ų2662 Ų6214%0.13632%0.321CS..Hα-helixtrans-62.8-43.7179.7-173.464.7000111V280 Q286 T287 M332 Y335 T336V280-L283 PolarHBondContact O-N 2.93Å; V280-L283 VanDerWaalsContact O-N 3.14Å; L283-Q286 WeakPolarHBondContact O-CB 3.01Å; L283-Q286 PolarHBondContact O-N 3.37Å; L283-T287 PolarHBondContact O-N 3.43Å; L283-T287 PolarHBondContact O-OG1 2.81Å; L283-T287 VanDerWaalsContact O-OG1 3.12Å; L283-M332 HydrophobicContact CD1-CE 3.72Å; L283-Y335 HydrophobicContact CD1-CD1 4.2Å; L283-Y335 HydrophobicContact CD1-CE1 4.01Å; L283-Y335 HydrophobicContact CD2-CD1 4.27Å; L283-Y335 HydrophobicContact CD2-CE1 3.88Å; L283-T336 HydrophobicContact CD2-CG2 3.85Å; L283-T336 HydrophobicContact CG-CG2 3.77Å; L283-T336 WeakPolarHBondContact CG-OG1 3.33Å
284V89.5Confident79.8Confident1 Ų158.2 Ų58.21%0.00630%0.302CS..Hα-helixtrans-59.7-49174.3175.60000111.4V280 Q286 T287 R288 T336 L340 H396 E399 V400V280-V284 HydrophobicContact CG1-CG2 4.41Å; V280-V284 WeakPolarHBondContact O-CG2 3.37Å; V280-V284 PolarHBondContact O-N 3.01Å; V280-V284 VanDerWaalsContact O-N 3.12Å; V284-Q286 VanDerWaalsContact C-N 3.32Å; V284-Q286 PolarHBondContact O-N 2.79Å; V284-T287 PolarHBondContact O-N 2.95Å; V284-R288 WeakPolarHBondContact O-CG 3.49Å; V284-R288 PolarHBondContact O-N 2.74Å; V284-T336 HydrophobicContact CG2-CG2 4.47Å; V284-L340 HydrophobicContact CG2-CD1 3.85Å; V284-H396 HydrophobicContact CG2-CB 3.81Å; V284-E399 HydrophobicContact CG1-CB 3.84Å; V284-V400 HydrophobicContact CB-CG2 4.36Å; V284-V400 HydrophobicContact CG1-CG2 4.03Å; V284-V400 HydrophobicContact CG2-CG2 3.99Å
285Q89.3Confident80.9Confident85 Ų8559.5 Ų59.540%0.39731%0.307SS..Hα-helixtrans-63.5-38.9-179-174.361.144.700112.3S281 Y282 R288 N289S281-Q285 WeakPolarHBondContact O-CB 3.24Å; S281-Q285 PolarHBondContact O-N 3.39Å; Y282-Q285 PolarHBondContact O-N 3.08Å; Q285-R288 PolarHBondContact O-N 3.05Å; Q285-N289 PolarHBondContact NE2-OD1 3.23Å; Q285-N289 WeakPolarHBondContact O-CB 3.09Å; Q285-N289 PolarHBondContact O-N 2.87Å; Q285-N289 PolarHBondContact O-ND2 3.12Å; Q285-N289 PolarHBondContact O-OD1 3.11Å
286Q86.5Confident82.1Confident35 Ų3557 Ų5716%0.16430%0.295CS..Hα-helixtrans-59-52.2174.8-75.3-93.7-21.800111.2Y282 L283 V284 R288 N289 L290Y282-Q286 HydrophobicContact CD1-CG 3.87Å; Y282-Q286 HydrophobicContact CD2-CG 4.4Å; Y282-Q286 HydrophobicContact CE1-CG 3.56Å; Y282-Q286 HydrophobicContact CE2-CG 4.17Å; Y282-Q286 HydrophobicContact CG-CG 4.29Å; Y282-Q286 WeakPolarHBondContact O-CB 2.98Å; Y282-Q286 WeakPolarHBondContact O-CG 3.33Å; Y282-Q286 PolarHBondContact O-N 3.08Å; Y282-Q286 PolarHBondContact OH-NE2 3.32Å; L283-Q286 WeakPolarHBondContact O-CB 3.01Å; L283-Q286 PolarHBondContact O-N 3.37Å; V284-Q286 VanDerWaalsContact C-N 3.32Å; V284-Q286 PolarHBondContact O-N 2.79Å; Q286-R288 VanDerWaalsContact C-N 3.28Å; Q286-R288 PolarHBondContact O-N 3.19Å; Q286-N289 PolarHBondContact O-N 2.92Å; Q286-N289 VanDerWaalsContact O-N 3.11Å; Q286-L290 PolarHBondContact O-N 3.05Å
287T90Very high83.4Confident0 Ų056.5 Ų56.50%029%0.291CS..Hα-helixtrans-57.5-42.7178.6-64.20000111.4L283 V284 L290 F291 F333 T336 V400 L403L283-T287 PolarHBondContact O-N 3.43Å; L283-T287 PolarHBondContact O-OG1 2.81Å; L283-T287 VanDerWaalsContact O-OG1 3.12Å; V284-T287 PolarHBondContact O-N 2.95Å; T287-L290 PolarHBondContact O-N 2.89Å; T287-F291 PolarHBondContact O-N 2.86Å; T287-F333 HydrophobicContact CG2-CB 4.09Å; T287-T336 PolarHBondContact OG1-OG1 3.2Å; T287-V400 HydrophobicContact CG2-CG1 4.44Å; T287-L403 HydrophobicContact CG2-CD1 3.97Å
288R90.8Very high84.8Confident88 Ų8850.7 Ų50.733%0.33225%0.25SC..Hα-helixtrans-63.5-42175.7-69.3176.468.9165.33.9113V284 Q285 Q286 F291 R292 E399 L403V284-R288 WeakPolarHBondContact O-CG 3.49Å; V284-R288 PolarHBondContact O-N 2.74Å; Q285-R288 PolarHBondContact O-N 3.05Å; Q286-R288 VanDerWaalsContact C-N 3.28Å; Q286-R288 PolarHBondContact O-N 3.19Å; R288-F291 PolarHBondContact O-N 3.36Å; R288-R292 WeakPolarHBondContact O-CB 2.94Å; R288-R292 PolarHBondContact O-N 2.96Å; R288-E399 IonicContact CZ-OE2 3.27Å; R288-E399 IonicContact NH1-OE2 2.79Å; R288-E399 PolarHBondContact NH1-OE2 3.11Å; R288-L403 HydrophobicContact CG-CD2 4.45Å
289N89.8Confident85.5Confident71 Ų7150.6 Ų50.638%0.3825%0.254SS..Hα-helixtrans-64.5-43.7179.1-71-14.5000111.1Q285 Q286 R292 E293Q285-N289 PolarHBondContact NE2-OD1 3.23Å; Q285-N289 WeakPolarHBondContact O-CB 3.09Å; Q285-N289 PolarHBondContact O-N 2.87Å; Q285-N289 PolarHBondContact O-ND2 3.12Å; Q285-N289 PolarHBondContact O-OD1 3.11Å; Q286-N289 PolarHBondContact O-N 2.92Å; Q286-N289 VanDerWaalsContact O-N 3.11Å; N289-R292 PolarHBondContact O-N 2.87Å; N289-E293 WeakPolarHBondContact O-CB 2.96Å; N289-E293 PolarHBondContact O-N 3.34Å
290L88.9Confident85.1Confident3 Ų349.4 Ų49.42%0.01625%0.249CC..Hα-helixtrans-62.3-43.9176.2-74.7168.9000112.4I269 F272 Q286 T287 R292 E293 A294 Q328 A329 M332I269-L290 HydrophobicContact CD1-CD2 3.45Å; I269-L290 VanDerWaalsContact CD1-CD2 3.45Å; I269-L290 HydrophobicContact CD1-CG 4.35Å; I269-L290 HydrophobicContact CG1-CD2 4.24Å; F272-L290 HydrophobicContact CE1-CD1 4.08Å; F272-L290 HydrophobicContact CZ-CD1 3.7Å; Q286-L290 PolarHBondContact O-N 3.05Å; T287-L290 PolarHBondContact O-N 2.89Å; L290-R292 VanDerWaalsContact C-N 3.31Å; L290-R292 PolarHBondContact O-N 3.25Å; L290-E293 PolarHBondContact O-N 2.65Å; L290-A294 VanDerWaalsContact O-CB 3.31Å; L290-A294 WeakPolarHBondContact O-CB 3.29Å; L290-A294 PolarHBondContact O-N 3.5Å; L290-Q328 HydrophobicContact CD1-CG 4.47Å; L290-Q328 HydrophobicContact CD2-CG 4.27Å; L290-A329 HydrophobicContact CB-CB 4.09Å; L290-M332 HydrophobicContact CD1-CB 3.77Å; L290-M332 HydrophobicContact CD1-CG 3.49Å; L290-M332 VanDerWaalsContact CD1-CG 3.49Å
291F89.7Confident83.9Confident2 Ų249.5 Ų49.51%0.00925%0.25CS..Hα-helixtrans-62.2-39.8176.4-106.9-98.1000112.2T287 R288 A294 K295 A329 L330 F333 L403 F413 I418T287-F291 PolarHBondContact O-N 2.86Å; R288-F291 PolarHBondContact O-N 3.36Å; F291-A294 PolarHBondContact O-N 2.95Å; F291-K295 WeakPolarHBondContact O-CB 3.39Å; F291-K295 WeakPolarHBondContact O-CG 3.26Å; F291-K295 PolarHBondContact O-N 3.36Å; F291-A329 HydrophobicContact CD2-CB 3.88Å; F291-A329 HydrophobicContact CE2-CB 3.98Å; F291-A329 WeakPolarHBondContact CE2-O 2.98Å; F291-L330 HydrophobicContact CZ-CD2 4.24Å; F291-F333 HydrophobicContact CD2-CB 4.28Å; F291-F333 HydrophobicContact CE2-CB 3.43Å; F291-F333 VanDerWaalsContact CE2-CB 3.43Å; F291-F333 HydrophobicContact CE2-CD2 4.21Å; F291-F333 HydrophobicContact CE2-CG 4.02Å; F291-F333 HydrophobicContact CZ-CB 4.07Å; F291-F333 HydrophobicContact CZ-CD2 4.34Å; F291-F333 HydrophobicContact CZ-CG 4.23Å; F291-L403 HydrophobicContact CB-CD1 4.28Å; F291-L403 HydrophobicContact CB-CD2 4.19Å; F291-L403 HydrophobicContact CD1-CB 4.39Å; F291-L403 HydrophobicContact CD2-CD1 4.1Å; F291-L403 HydrophobicContact CG-CD1 4.02Å; F291-L403 HydrophobicContact CG-CD2 4.43Å; F291-F413 HydrophobicContact CD1-CD1 4.47Å; F291-F413 HydrophobicContact CE1-CB 3.94Å; F291-F413 AromaticContact CE1-CD1 3.3Å; F291-F413 HydrophobicContact CE1-CD1 3.3Å; F291-F413 AromaticContact CE1-CE1 3.94Å; F291-F413 HydrophobicContact CE1-CE1 3.94Å; F291-F413 AromaticContact CE1-CG 3.76Å; F291-F413 HydrophobicContact CE1-CG 3.76Å; F291-F413 AromaticContact CZ-CD1 3.53Å; F291-F413 HydrophobicContact CZ-CD1 3.53Å; F291-F413 AromaticContact CZ-CE1 3.68Å; F291-F413 HydrophobicContact CZ-CE1 3.68Å; F291-F413 HydrophobicContact CZ-CG 4.11Å; F291-F413 HydrophobicContact CZ-CZ 4.38Å; F291-I418 HydrophobicContact CE1-CG2 4.3Å; F291-I418 HydrophobicContact CZ-CG2 4.49Å
292R88.7Confident82.4Confident157 Ų15749.8 Ų49.859%0.59225%0.252SS*.Hα-helixtrans-64.1-43.7174.5-172.9-174.7-62.5158.61.3111.6R288 N289 L290 S296R288-R292 WeakPolarHBondContact O-CB 2.94Å; R288-R292 PolarHBondContact O-N 2.96Å; N289-R292 PolarHBondContact O-N 2.87Å; L290-R292 VanDerWaalsContact C-N 3.31Å; L290-R292 PolarHBondContact O-N 3.25Å; R292-S296 WeakPolarHBondContact O-CB 3.49Å; R292-S296 PolarHBondContact O-N 2.98Å; R292-S296 PolarHBondContact O-OG 3.32Å
293E87.4Confident80.5Confident74 Ų7451.2 Ų51.235%0.34627%0.269SS..Hα-helixtrans-63.7-44.1177.3-171.2176.817200111.6N289 L290 S296 S297 I325N289-E293 WeakPolarHBondContact O-CB 2.96Å; N289-E293 PolarHBondContact O-N 3.34Å; L290-E293 PolarHBondContact O-N 2.65Å; E293-S296 WeakPolarHBondContact CA-OG 3.45Å; E293-S296 PolarHBondContact O-N 3.06Å; E293-S296 PolarHBondContact O-OG 3.36Å; E293-S297 WeakPolarHBondContact O-CB 3.47Å; E293-S297 PolarHBondContact O-N 3.12Å; E293-S297 PolarHBondContact O-OG 3.45Å; E293-I325 HydrophobicContact CG-CG2 4.22Å
294A87.2Confident78.4Confident0 Ų058.4 Ų58.40%030%0.3CS..Hα-helixtrans-58.2-52.1174.800000111.5L290 F291 S296 S297 C298 I325 V326 A329 I418L290-A294 VanDerWaalsContact O-CB 3.31Å; L290-A294 WeakPolarHBondContact O-CB 3.29Å; L290-A294 PolarHBondContact O-N 3.5Å; F291-A294 PolarHBondContact O-N 2.95Å; A294-S296 PolarHBondContact O-N 3.06Å; A294-S297 WeakPolarHBondContact O-CB 3.21Å; A294-S297 PolarHBondContact O-N 3.08Å; A294-S297 VanDerWaalsContact O-N 3.13Å; A294-C298 PolarHBondContact O-N 2.89Å; A294-C298 PolarHBondContact O-SG 2.73Å; A294-I325 HydrophobicContact CB-CG2 4.01Å; A294-V326 HydrophobicContact CB-CG2 4.18Å; A294-A329 HydrophobicContact CB-CB 3.95Å; A294-I418 HydrophobicContact CB-CD1 4.13Å
295K86.7Confident76.1Confident56 Ų5669.4 Ų69.424%0.24334%0.341CS..Hα-helixtrans-56.9-48.7176.4-73.2-176.8-179.4-161.90111.8F291 S297 C298 D299 F413 I418F291-K295 WeakPolarHBondContact O-CB 3.39Å; F291-K295 WeakPolarHBondContact O-CG 3.26Å; F291-K295 PolarHBondContact O-N 3.36Å; K295-S297 VanDerWaalsContact C-N 3.26Å; K295-S297 PolarHBondContact O-N 2.99Å; K295-C298 PolarHBondContact O-N 2.95Å; K295-C298 VanDerWaalsContact O-N 3.14Å; K295-D299 VanDerWaalsContact O-CG 3.29Å; K295-D299 PolarHBondContact O-N 3.29Å; K295-F413 WeakPolarHBondContact CE-O 3.33Å; K295-F413 PolarHBondContact NZ-O 2.85Å; K295-I418 HydrophobicContact CG-CD1 3.81Å
296S84.7Confident73.6Confident64 Ų6472.2 Ų72.245%0.44836%0.359SS..Hα-helixtrans-61.6-34.6178.272.40000113.1R292 E293 A294 S300R292-S296 WeakPolarHBondContact O-CB 3.49Å; R292-S296 PolarHBondContact O-N 2.98Å; R292-S296 PolarHBondContact O-OG 3.32Å; E293-S296 WeakPolarHBondContact CA-OG 3.45Å; E293-S296 PolarHBondContact O-N 3.06Å; E293-S296 PolarHBondContact O-OG 3.36Å; A294-S296 PolarHBondContact O-N 3.06Å; S296-S300 WeakPolarHBondContact O-CB 3.13Å; S296-S300 PolarHBondContact O-N 3.23Å; S296-S300 PolarHBondContact O-OG 2.85Å
297S81.2Confident71.3Confident19 Ų1976.5 Ų76.513%0.13339%0.392CS..Hα-helixtrans-69-38.3177.3-63.80000111.5E293 A294 K295 S300E293-S297 WeakPolarHBondContact O-CB 3.47Å; E293-S297 PolarHBondContact O-N 3.12Å; E293-S297 PolarHBondContact O-OG 3.45Å; A294-S297 WeakPolarHBondContact O-CB 3.21Å; A294-S297 PolarHBondContact O-N 3.08Å; A294-S297 VanDerWaalsContact O-N 3.13Å; K295-S297 VanDerWaalsContact C-N 3.26Å; K295-S297 PolarHBondContact O-N 2.99Å; S297-S300 PolarHBondContact O-OG 2.98Å
298C79.3Confident68.7Low4 Ų487.5 Ų87.53%0.02743%0.434CS..Hα-helixtrans-67.1-47.2172.8-61.20000111.6A294 K295 S300 V301 E417A294-C298 PolarHBondContact O-N 2.89Å; A294-C298 PolarHBondContact O-SG 2.73Å; K295-C298 PolarHBondContact O-N 2.95Å; K295-C298 VanDerWaalsContact O-N 3.14Å; C298-S300 VanDerWaalsContact C-N 3.33Å; C298-S300 PolarHBondContact O-N 3.46Å; C298-V301 WeakPolarHBondContact O-CB 3.3Å; C298-V301 PolarHBondContact O-N 3.42Å; C298-V301 VanDerWaalsContact O-N 3.13Å; C298-E417 HydrophobicContact CB-CB 4.32Å; C298-E417 HydrophobicContact CB-CG 4.21Å
299D75.2Confident66.3Low95 Ų9587.6 Ų87.651%0.50845%0.448SS..Hα-helixtrans-63.6-37.3-177.1-68.5-24.9000112.7K295 V301 S302 T303K295-D299 VanDerWaalsContact O-CG 3.29Å; K295-D299 PolarHBondContact O-N 3.29Å; D299-V301 PolarHBondContact O-N 2.76Å; D299-S302 PolarHBondContact O-N 3.08Å; D299-S302 VanDerWaalsContact O-N 3.13Å; D299-S302 PolarHBondContact O-OG 3.27Å; D299-T303 PolarHBondContact O-N 3.05Å
300S65.2Low63.7Low65 Ų6588.6 Ų88.646%0.45548%0.475SS..Hα-helixtrans-61.6-23178.374.10000113.7S296 S297 C298 T303S296-S300 WeakPolarHBondContact O-CB 3.13Å; S296-S300 PolarHBondContact O-N 3.23Å; S296-S300 PolarHBondContact O-OG 2.85Å; S297-S300 PolarHBondContact O-OG 2.98Å; C298-S300 VanDerWaalsContact C-N 3.33Å; C298-S300 PolarHBondContact O-N 3.46Å; S300-T303 PolarHBondContact O-OG1 3.3Å
301V57.4Low61.1Low56 Ų5697.4 Ų97.434%0.33951%0.508SS..Hα-helixtrans-80.3-37.2177-179.80000110.7C298 D299 T303 F316C298-V301 WeakPolarHBondContact O-CB 3.3Å; C298-V301 PolarHBondContact O-N 3.42Å; C298-V301 VanDerWaalsContact O-N 3.13Å; D299-V301 PolarHBondContact O-N 2.76Å; V301-T303 VanDerWaalsContact C-N 3.33Å; V301-T303 PolarHBondContact O-N 3.39Å; V301-F316 HydrophobicContact CG1-CD1 4.2Å
302S51.6Low58.6Low63 Ų63107.1 Ų107.144%0.44155%0.551SS.*Hα-helixtrans-67.8-28.6-177.675.10000114.1D299D299-S302 PolarHBondContact O-N 3.08Å; D299-S302 VanDerWaalsContact O-N 3.13Å; D299-S302 PolarHBondContact O-OG 3.27Å
303T45.2Very low56Low111 Ų111105.4 Ų105.468%0.68155%0.552SS**THydrogen-bonded Turntrans-85.8-12.5-17349.20000114.2D299 S300 V301 R305D299-T303 PolarHBondContact O-N 3.05Å; S300-T303 PolarHBondContact O-OG1 3.3Å; V301-T303 VanDerWaalsContact C-N 3.33Å; V301-T303 PolarHBondContact O-N 3.39Å; T303-R305 PolarHBondContact O-N 3.07Å
304K41.9Very low53.4Low178 Ų178106.8 Ų106.877%0.77457%0.57SS**  trans-78.163.9168-74.8-174.4177.5179.20110.3D306K304-D306 VanDerWaalsContact C-N 3.27Å; K304-D306 PolarHBondContact O-N 3.37Å
305R40.7Very low51Low232 Ų232112.3 Ų112.388%0.87561%0.609SS**  trans-71.390.7159.8-102.3-177.1178.8167.81.4107.3T303 S307T303-R305 PolarHBondContact O-N 3.07Å; R305-S307 PolarHBondContact O-N 2.81Å
306D37.2Very low48.9Very low144 Ų144114.5 Ų114.577%0.7762%0.619SS**  trans-56.1114.1158.5-85.3-35.7000107.4K304 R308K304-D306 VanDerWaalsContact C-N 3.27Å; K304-D306 PolarHBondContact O-N 3.37Å; D306-R308 PolarHBondContact O-N 3.43Å
307S38.7Very low47.4Very low124 Ų124116.5 Ų116.587%0.86763%0.633SS**SBendtrans-71.526.4-17657.50000113.3R305R305-S307 PolarHBondContact O-N 2.81Å
308R35.5Very low46.3Very low231 Ų231117.5 Ų117.587%0.87264%0.637SS**SBendtrans-145.265.9-179.5-73.9-173.6178.4169.7-0.2111D306D306-R308 PolarHBondContact O-N 3.43Å
309S39.7Very low45.6Very low90 Ų90120.1 Ų120.163%0.62966%0.655SS**  trans-177.5124.6136.456.20000109.2R311S309-R311 PolarHBondContact O-N 2.85Å
310G36.6Very low45.3Very low93 Ų93122.7 Ų122.796%0.95966%0.663SS**  trans-77.549.7172.900000112.1
311R32.8Very low45.6Very low187 Ų187127.7 Ų127.771%0.70668%0.677SS**  trans-107.8119.4169.5-78.7-172.4-176.5-170.5-0.1108.4E156 S309 L313E156-R311 IonicContact OE2-NH1 3.76Å; S309-R311 PolarHBondContact O-N 2.85Å; R311-L313 PolarHBondContact O-N 3.44Å; R311-L313 VanDerWaalsContact O-N 3.11Å
312K36.9Very low46.5Very low207 Ų207125.5 Ų125.590%0.966%0.664SS**  trans-54.7114.7175.1-77.8174.7174174.70108.2S314K312-S314 PolarHBondContact O-N 3.08Å
313L34.3Very low48Very low120 Ų120125 Ų12563%0.62866%0.655SS**  trans-62.596.9172-103.477.2000109.4R311 F316R311-L313 PolarHBondContact O-N 3.44Å; R311-L313 VanDerWaalsContact O-N 3.11Å; L313-F316 HydrophobicContact CB-CD2 4.25Å; L313-F316 HydrophobicContact CB-CE2 3.69Å; L313-F316 HydrophobicContact CB-CZ 4.05Å; L313-F316 HydrophobicContact CD2-CD1 3.76Å; L313-F316 HydrophobicContact CD2-CD2 4.09Å; L313-F316 HydrophobicContact CD2-CE1 3.21Å; L313-F316 HydrophobicContact CD2-CE2 3.58Å; L313-F316 HydrophobicContact CD2-CG 4.19Å; L313-F316 HydrophobicContact CD2-CZ 3.12Å; L313-F316 HydrophobicContact CG-CE2 4.27Å; L313-F316 HydrophobicContact CG-CZ 4.2Å
314S32.5Very low49.8Very low103 Ų103120.5 Ų120.572%0.7263%0.628SS**  trans-104.9129.1160.449.70000108.2K312K312-S314 PolarHBondContact O-N 3.08Å
315S38.9Very low52Low116 Ų116112.8 Ų112.881%0.81160%0.595SS**  trans75.671.8-168.878.50000115.1S317S315-S317 VanDerWaalsContact C-N 3.33Å; S315-S317 PolarHBondContact O-N 3.21Å
316F41.6Very low54.3Low102 Ų102101.8 Ų101.845%0.44755%0.554SS.*  trans-63.497.8156.9-79.1-94.9000108.1V301 L313 L318V301-F316 HydrophobicContact CG1-CD1 4.2Å; L313-F316 HydrophobicContact CB-CD2 4.25Å; L313-F316 HydrophobicContact CB-CE2 3.69Å; L313-F316 HydrophobicContact CB-CZ 4.05Å; L313-F316 HydrophobicContact CD2-CD1 3.76Å; L313-F316 HydrophobicContact CD2-CD2 4.09Å; L313-F316 HydrophobicContact CD2-CE1 3.21Å; L313-F316 HydrophobicContact CD2-CE2 3.58Å; L313-F316 HydrophobicContact CD2-CG 4.19Å; L313-F316 HydrophobicContact CD2-CZ 3.12Å; L313-F316 HydrophobicContact CG-CE2 4.27Å; L313-F316 HydrophobicContact CG-CZ 4.2Å; F316-L318 PolarHBondContact O-N 2.94Å
317S53.2Low56.8Low107 Ų10795 Ų9575%0.74852%0.518SS*.PPolyproline II helixtrans-74.4118.2166.958.50000108.2S315 S319S315-S317 VanDerWaalsContact C-N 3.33Å; S315-S317 PolarHBondContact O-N 3.21Å; S317-S319 PolarHBondContact O-N 3.44Å
318L57.7Low59.2Low40 Ų4089 Ų8921%0.20948%0.476CS..PPolyproline II helixtrans-58.1139.1170.8-79.9113.6000109F316 H323 V326 E417F316-L318 PolarHBondContact O-N 2.94Å; L318-H323 HydrophobicContact CB-CB 4.35Å; L318-V326 HydrophobicContact CD2-CG2 4.16Å; L318-E417 HydrophobicContact CD1-CB 3.79Å; L318-E417 HydrophobicContact CD1-CG 3.94Å; L318-E417 HydrophobicContact CD2-CB 4.09Å; L318-E417 HydrophobicContact CD2-CG 4.25Å; L318-E417 HydrophobicContact CG-CB 4.31Å; L318-E417 HydrophobicContact CG-CG 4.19Å
319S64.9Low61.8Low59 Ų5978 Ų7841%0.41344%0.435SS..PPolyproline II helixtrans-56.8146169.885.20000109.6S317 K321 S322 H323S317-S319 PolarHBondContact O-N 3.44Å; S319-K321 PolarHBondContact O-N 3.24Å; S319-S322 PolarHBondContact O-N 3.43Å; S319-S322 PolarHBondContact OG-N 2.97Å; S319-S322 VanDerWaalsContact OG-N 3.14Å; S319-S322 PolarHBondContact OG-OG 3.44Å; S319-H323 PolarHBondContact O-N 2.99Å
320H68.1Low64.3Low148 Ų14873.8 Ų73.869%0.68541%0.405SS*.Hα-helixtrans-50.4-34.5177.9-93.6-60.7000113.3A324H320-A324 PolarHBondContact O-N 3.39Å; H320-A324 VanDerWaalsContact O-N 3.14Å
321K71.3Confident66.9Low171 Ų17169.4 Ų69.474%0.74336%0.359SS*.Hα-helixtrans-69.3-46.9176.2-71.1-173176.4-176.10111.9S319 H323 A324 I325S319-K321 PolarHBondContact O-N 3.24Å; K321-H323 VanDerWaalsContact C-N 3.3Å; K321-H323 PolarHBondContact O-N 3.42Å; K321-A324 PolarHBondContact O-N 2.62Å; K321-I325 WeakPolarHBondContact O-CG1 2.92Å; K321-I325 PolarHBondContact O-N 3.03Å; K321-I325 VanDerWaalsContact O-N 3.14Å
322S77.2Confident69.7Low9 Ų960.5 Ų60.56%0.06333%0.326CS..Hα-helixtrans-61.2-42.1177.1-50.60000110.9S319 A324 I325 V326S319-S322 PolarHBondContact O-N 3.43Å; S319-S322 PolarHBondContact OG-N 2.97Å; S319-S322 VanDerWaalsContact OG-N 3.14Å; S319-S322 PolarHBondContact OG-OG 3.44Å; S322-A324 PolarHBondContact O-N 3.05Å; S322-I325 PolarHBondContact O-N 2.95Å; S322-V326 VanDerWaalsContact O-CG2 3.31Å; S322-V326 WeakPolarHBondContact O-CG2 3.42Å; S322-V326 PolarHBondContact O-N 2.81Å
323H82.8Confident72.4Confident54 Ų5450.6 Ų50.625%0.2528%0.283CS..Hα-helixtrans-60.6-44.2177.1-175.4-76.1000112.4Y213 L318 S319 K321 I325 V326 F327 L421Y213-H323 AromaticContact CD2-CE1 3.86Å; Y213-H323 AromaticContact CE2-CE1 3.45Å; Y213-H323 VanDerWaalsContact CE2-CE1 3.45Å; Y213-H323 WeakPolarHBondContact CE2-CE1 3.36Å; Y213-H323 AromaticContact CZ-CE1 3.78Å; L318-H323 HydrophobicContact CB-CB 4.35Å; S319-H323 PolarHBondContact O-N 2.99Å; K321-H323 VanDerWaalsContact C-N 3.3Å; K321-H323 PolarHBondContact O-N 3.42Å; H323-I325 VanDerWaalsContact C-N 3.34Å; H323-I325 PolarHBondContact O-N 3.41Å; H323-V326 PolarHBondContact O-N 2.68Å; H323-F327 WeakPolarHBondContact O-CB 3.42Å; H323-F327 PolarHBondContact O-N 2.66Å; H323-L421 WeakPolarHBondContact NE2-CD1 3.41Å
324A84.4Confident75.2Confident15 Ų1545 Ų4512%0.12425%0.253CS..Hα-helixtrans-61.9-40.8176.700000112.2H320 K321 S322 Q328H320-A324 PolarHBondContact O-N 3.39Å; H320-A324 VanDerWaalsContact O-N 3.14Å; K321-A324 PolarHBondContact O-N 2.62Å; S322-A324 PolarHBondContact O-N 3.05Å; A324-Q328 WeakPolarHBondContact O-CB 3.28Å; A324-Q328 PolarHBondContact O-N 3.35Å
325I87.3Confident78Confident16 Ų1641.3 Ų41.38%0.08222%0.224CC..Hα-helixtrans-65.6-46.5177.1-65.9163.8000111.2P268 E293 A294 K321 S322 H323 Q328 A329P268-I325 HydrophobicContact CG-CD1 4.32Å; P268-I325 HydrophobicContact CG-CG1 3.49Å; P268-I325 VanDerWaalsContact CG-CG1 3.49Å; E293-I325 HydrophobicContact CG-CG2 4.22Å; A294-I325 HydrophobicContact CB-CG2 4.01Å; K321-I325 WeakPolarHBondContact O-CG1 2.92Å; K321-I325 PolarHBondContact O-N 3.03Å; K321-I325 VanDerWaalsContact O-N 3.14Å; S322-I325 PolarHBondContact O-N 2.95Å; H323-I325 VanDerWaalsContact C-N 3.34Å; H323-I325 PolarHBondContact O-N 3.41Å; I325-Q328 PolarHBondContact O-N 2.93Å; I325-A329 WeakPolarHBondContact O-CB 3.33Å; I325-A329 PolarHBondContact O-N 3.36Å
326V88.5Confident80.5Confident1 Ų135.8 Ų35.81%0.00619%0.185CC..Hα-helixtrans-61.6-47.6179.1172.10000110.4A294 L318 S322 H323 Q328 A329 L330 I418 L421A294-V326 HydrophobicContact CB-CG2 4.18Å; L318-V326 HydrophobicContact CD2-CG2 4.16Å; S322-V326 VanDerWaalsContact O-CG2 3.31Å; S322-V326 WeakPolarHBondContact O-CG2 3.42Å; S322-V326 PolarHBondContact O-N 2.81Å; H323-V326 PolarHBondContact O-N 2.68Å; V326-Q328 VanDerWaalsContact C-N 3.34Å; V326-Q328 PolarHBondContact O-N 3.35Å; V326-A329 WeakPolarHBondContact O-CB 3.42Å; V326-A329 PolarHBondContact O-N 3.48Å; V326-L330 HydrophobicContact CG1-CD1 4.05Å; V326-L330 WeakPolarHBondContact O-CG 3.45Å; V326-L330 PolarHBondContact O-N 3.46Å; V326-I418 HydrophobicContact CG1-CB 4.24Å; V326-I418 HydrophobicContact CG1-CG1 3.94Å; V326-I418 HydrophobicContact CG1-CG2 4.3Å; V326-I418 HydrophobicContact CG2-CG1 4.21Å; V326-L421 HydrophobicContact CB-CD2 4.12Å; V326-L421 HydrophobicContact CG1-CB 4.19Å; V326-L421 HydrophobicContact CG1-CD2 3.68Å
327F89.2Confident83Confident1 Ų131 Ų310%0.00416%0.164CC..Hα-helixtrans-61.6-43.1178.4-174-103.3000112.1Y213 V217 I220 V261 L265 W267 H323 A329 L330 C331 L421 I424Y213-F327 HydrophobicContact CD2-CD2 4.42Å; Y213-F327 HydrophobicContact CD2-CE2 4.33Å; Y213-F327 AromaticContact CE2-CD2 3.48Å; Y213-F327 HydrophobicContact CE2-CD2 3.48Å; Y213-F327 VanDerWaalsContact CE2-CD2 3.48Å; Y213-F327 AromaticContact CE2-CE2 3.55Å; Y213-F327 HydrophobicContact CE2-CE2 3.55Å; Y213-F327 HydrophobicContact CE2-CG 4.03Å; Y213-F327 HydrophobicContact CE2-CZ 4.19Å; V217-F327 HydrophobicContact CG2-CE2 3.59Å; V217-F327 HydrophobicContact CG2-CZ 4.03Å; I220-F327 HydrophobicContact CD1-CE1 4.49Å; I220-F327 HydrophobicContact CD1-CZ 4.28Å; V261-F327 HydrophobicContact CG1-CE1 3.71Å; L265-F327 HydrophobicContact CD1-CD1 3.51Å; L265-F327 HydrophobicContact CD1-CE1 3.32Å; L265-F327 HydrophobicContact CD1-CG 4.5Å; L265-F327 HydrophobicContact CD1-CZ 4.19Å; W267-F327 HydrophobicContact CZ2-CD1 4.02Å; W267-F327 HydrophobicContact CZ2-CE1 4.08Å; W267-F327 AromaticContact NE1-CD1 3.75Å; H323-F327 WeakPolarHBondContact O-CB 3.42Å; H323-F327 PolarHBondContact O-N 2.66Å; F327-A329 PolarHBondContact O-N 3.21Å; F327-L330 PolarHBondContact O-N 2.91Å; F327-C331 VanDerWaalsContact CE1-SG 3.56Å; F327-C331 PolarHBondContact O-N 2.88Å; F327-C331 PolarHBondContact O-SG 3.35Å; F327-L421 HydrophobicContact CB-CD2 4.06Å; F327-I424 HydrophobicContact CD2-CD1 3.67Å; F327-I424 HydrophobicContact CE2-CD1 3.16Å; F327-I424 HydrophobicContact CE2-CG1 3.88Å; F327-I424 HydrophobicContact CZ-CD1 3.68Å
328Q89.9Confident84.8Confident0 Ų026.1 Ų26.10%013%0.13CC..Hα-helixtrans-59.6-44.9173.9178.1-175.9-500111.8W267 I269 F272 L290 A324 I325 V326 C331 M332W267-Q328 HydrophobicContact CB-CG 4.4Å; W267-Q328 HydrophobicContact CD2-CB 3.75Å; W267-Q328 HydrophobicContact CD2-CG 3.64Å; W267-Q328 HydrophobicContact CE3-CB 4.29Å; W267-Q328 HydrophobicContact CE3-CG 3.7Å; W267-Q328 HydrophobicContact CG-CB 3.91Å; W267-Q328 HydrophobicContact CG-CG 3.98Å; W267-Q328 HydrophobicContact CZ2-CB 4.38Å; W267-Q328 HydrophobicContact CZ3-CG 4.24Å; I269-Q328 VanDerWaalsContact CB-NE2 3.33Å; F272-Q328 HydrophobicContact CE2-CG 4.45Å; F272-Q328 VanDerWaalsContact CZ-NE2 3.3Å; L290-Q328 HydrophobicContact CD1-CG 4.47Å; L290-Q328 HydrophobicContact CD2-CG 4.27Å; A324-Q328 WeakPolarHBondContact O-CB 3.28Å; A324-Q328 PolarHBondContact O-N 3.35Å; I325-Q328 PolarHBondContact O-N 2.93Å; V326-Q328 VanDerWaalsContact C-N 3.34Å; V326-Q328 PolarHBondContact O-N 3.35Å; Q328-C331 PolarHBondContact O-N 2.99Å; Q328-M332 WeakPolarHBondContact O-CB 3.32Å; Q328-M332 VanDerWaalsContact O-CG 3.31Å; Q328-M332 WeakPolarHBondContact O-CG 2.87Å; Q328-M332 PolarHBondContact O-N 3.4Å
329A90.6Very high86.4Confident0 Ų026.7 Ų26.70%013%0.133CC..Hα-helixtrans-61.1-46.4178.800000111.3L290 F291 A294 I325 V326 F327 M332 F333L290-A329 HydrophobicContact CB-CB 4.09Å; F291-A329 HydrophobicContact CD2-CB 3.88Å; F291-A329 HydrophobicContact CE2-CB 3.98Å; F291-A329 WeakPolarHBondContact CE2-O 2.98Å; A294-A329 HydrophobicContact CB-CB 3.95Å; I325-A329 WeakPolarHBondContact O-CB 3.33Å; I325-A329 PolarHBondContact O-N 3.36Å; V326-A329 WeakPolarHBondContact O-CB 3.42Å; V326-A329 PolarHBondContact O-N 3.48Å; F327-A329 PolarHBondContact O-N 3.21Å; A329-M332 PolarHBondContact O-N 3.39Å; A329-F333 WeakPolarHBondContact O-CB 3.29Å; A329-F333 PolarHBondContact O-N 3.43Å
330L92.2Very high87.7Confident0 Ų024 Ų240%011%0.114CC..Hα-helixtrans-60.9-46.7177.2-73.1167.9000112.2F291 V326 F327 M332 F333 W334 F413 I418 L421 D422 I424F291-L330 HydrophobicContact CZ-CD2 4.24Å; V326-L330 HydrophobicContact CG1-CD1 4.05Å; V326-L330 WeakPolarHBondContact O-CG 3.45Å; V326-L330 PolarHBondContact O-N 3.46Å; F327-L330 PolarHBondContact O-N 2.91Å; L330-M332 VanDerWaalsContact C-N 3.31Å; L330-M332 PolarHBondContact O-N 3.35Å; L330-F333 PolarHBondContact O-N 2.86Å; L330-W334 PolarHBondContact O-N 3.4Å; L330-F413 HydrophobicContact CD2-CD2 4.08Å; L330-F413 HydrophobicContact CD2-CE2 3.65Å; L330-F413 HydrophobicContact CD2-CZ 3.99Å; L330-I418 HydrophobicContact CD1-CG2 4.42Å; L330-I418 HydrophobicContact CD2-CG2 3.82Å; L330-I418 HydrophobicContact CG-CG2 4.18Å; L330-L421 HydrophobicContact CD1-CB 3.98Å; L330-L421 HydrophobicContact CD1-CG 4.45Å; L330-L421 WeakPolarHBondContact CD1-O 3.29Å; L330-D422 HydrophobicContact CD2-CB 4.22Å; L330-I424 HydrophobicContact CB-CD1 4.33Å
331C91.5Very high88.8Confident1 Ų116.9 Ų16.91%0.0078%0.081CC..Hα-helixtrans-57.2-45.5175.9-68.70000111.7I220 L258 W267 F327 Q328 W334 Y335 I424I220-C331 VanDerWaalsContact CD1-SG 3.51Å; L258-C331 HydrophobicContact CD2-CB 3.73Å; W267-C331 HydrophobicContact CH2-CB 3.73Å; W267-C331 HydrophobicContact CZ2-CB 4Å; F327-C331 VanDerWaalsContact CE1-SG 3.56Å; F327-C331 PolarHBondContact O-N 2.88Å; F327-C331 PolarHBondContact O-SG 3.35Å; Q328-C331 PolarHBondContact O-N 2.99Å; C331-W334 PolarHBondContact O-N 3.42Å; C331-Y335 VanDerWaalsContact O-CB 3.28Å; C331-Y335 WeakPolarHBondContact O-CB 3.39Å; C331-Y335 PolarHBondContact O-N 3.37Å; C331-I424 WeakPolarHBondContact SG-CD1 3.39Å
332M90.4Very high89.6Confident0 Ų09 Ų90%05%0.047CC..Hα-helixtrans-67.7-37.3179.9-74-59.1-55.600112.6F272 F274 L283 L290 Q328 A329 L330 T336F272-M332 HydrophobicContact CD1-CE 3.69Å; F272-M332 HydrophobicContact CD1-SD 3.95Å; F272-M332 HydrophobicContact CD2-SD 4.25Å; F272-M332 HydrophobicContact CE1-CE 3.74Å; F272-M332 HydrophobicContact CE1-CG 4.32Å; F272-M332 HydrophobicContact CE1-SD 3.97Å; F272-M332 HydrophobicContact CE2-SD 4.32Å; F272-M332 HydrophobicContact CG-CE 4.37Å; F272-M332 HydrophobicContact CG-SD 4.1Å; F272-M332 HydrophobicContact CZ-CE 4.5Å; F272-M332 HydrophobicContact CZ-CG 4.19Å; F272-M332 HydrophobicContact CZ-SD 4.21Å; F274-M332 HydrophobicContact CE1-CE 3.87Å; F274-M332 HydrophobicContact CE1-SD 3.51Å; F274-M332 VanDerWaalsContact CE1-SD 3.51Å; F274-M332 HydrophobicContact CZ-CE 4.5Å; F274-M332 HydrophobicContact CZ-SD 3.61Å; L283-M332 HydrophobicContact CD1-CE 3.72Å; L290-M332 HydrophobicContact CD1-CB 3.77Å; L290-M332 HydrophobicContact CD1-CG 3.49Å; L290-M332 VanDerWaalsContact CD1-CG 3.49Å; Q328-M332 WeakPolarHBondContact O-CB 3.32Å; Q328-M332 VanDerWaalsContact O-CG 3.31Å; Q328-M332 WeakPolarHBondContact O-CG 2.87Å; Q328-M332 PolarHBondContact O-N 3.4Å; A329-M332 PolarHBondContact O-N 3.39Å; L330-M332 VanDerWaalsContact C-N 3.31Å; L330-M332 PolarHBondContact O-N 3.35Å; M332-T336 VanDerWaalsContact O-CB 3.29Å; M332-T336 WeakPolarHBondContact O-CB 3.21Å; M332-T336 PolarHBondContact O-N 3.44Å; M332-T336 PolarHBondContact O-OG1 3.33Å
333F93.5Very high90.1Very high0 Ų010 Ų100%06%0.056CC..Hα-helixtrans-60.1-53.2174167.3-85.4000111.5T287 F291 A329 L330 T336 L337 V400 L403 R404 F413T287-F333 HydrophobicContact CG2-CB 4.09Å; F291-F333 HydrophobicContact CD2-CB 4.28Å; F291-F333 HydrophobicContact CE2-CB 3.43Å; F291-F333 VanDerWaalsContact CE2-CB 3.43Å; F291-F333 HydrophobicContact CE2-CD2 4.21Å; F291-F333 HydrophobicContact CE2-CG 4.02Å; F291-F333 HydrophobicContact CZ-CB 4.07Å; F291-F333 HydrophobicContact CZ-CD2 4.34Å; F291-F333 HydrophobicContact CZ-CG 4.23Å; A329-F333 WeakPolarHBondContact O-CB 3.29Å; A329-F333 PolarHBondContact O-N 3.43Å; L330-F333 PolarHBondContact O-N 2.86Å; F333-T336 PolarHBondContact O-N 2.88Å; F333-L337 HydrophobicContact CE1-CD2 4.04Å; F333-L337 HydrophobicContact CZ-CD2 3.93Å; F333-L337 WeakPolarHBondContact O-CB 3.37Å; F333-L337 PolarHBondContact O-N 2.94Å; F333-V400 HydrophobicContact CD2-CG1 3.74Å; F333-V400 HydrophobicContact CE2-CG1 3.75Å; F333-V400 WeakPolarHBondContact CE2-O 3.46Å; F333-L403 HydrophobicContact CD2-CB 4.36Å; F333-L403 HydrophobicContact CD2-CD1 4.04Å; F333-L403 HydrophobicContact CE2-CB 4.27Å; F333-R404 VanDerWaalsContact CE1-NH2 3.31Å; F333-R404 HydrophobicContact CE2-CG 4.36Å; F333-R404 HydrophobicContact CZ-CG 4.03Å; F333-F413 HydrophobicContact CD1-CE1 4.09Å; F333-F413 HydrophobicContact CD1-CZ 4.06Å; F333-F413 HydrophobicContact CD2-CE1 4.14Å; F333-F413 AromaticContact CE1-CE1 3.98Å; F333-F413 HydrophobicContact CE1-CE1 3.98Å; F333-F413 AromaticContact CE1-CZ 3.97Å; F333-F413 HydrophobicContact CE1-CZ 3.97Å; F333-F413 AromaticContact CE2-CE1 3.99Å; F333-F413 HydrophobicContact CE2-CE1 3.99Å; F333-F413 HydrophobicContact CG-CE1 4.22Å; F333-F413 AromaticContact CZ-CE1 3.96Å; F333-F413 HydrophobicContact CZ-CE1 3.96Å; F333-F413 HydrophobicContact CZ-CZ 4.35Å
334W93Very high90.2Very high2 Ų27.6 Ų7.61%0.0085%0.045CC..Hα-helixtrans-65.3-43.2-178.8-74.5117.2000112.2V224 L330 C331 T336 L337 V338 R404 Y411 D422 H425 P426 E441V224-W334 HydrophobicContact CG1-CB 4.41Å; V224-W334 HydrophobicContact CG1-CE3 4.39Å; V224-W334 HydrophobicContact CG2-CB 4.35Å; L330-W334 PolarHBondContact O-N 3.4Å; C331-W334 PolarHBondContact O-N 3.42Å; W334-T336 PolarHBondContact O-N 2.81Å; W334-L337 HydrophobicContact CE3-CD2 4.18Å; W334-L337 HydrophobicContact CZ3-CD2 4.07Å; W334-L337 PolarHBondContact O-N 3.32Å; W334-V338 WeakPolarHBondContact O-CB 3.24Å; W334-V338 VanDerWaalsContact O-CG2 3.24Å; W334-V338 WeakPolarHBondContact O-CG2 3.26Å; W334-V338 PolarHBondContact O-N 3.36Å; W334-R404 VanDerWaalsContact CZ2-NH2 3.31Å; W334-Y411 WeakPolarHBondContact CZ2-OH 3.43Å; W334-D422 PolarHBondContact NE1-OD1 2.99Å; W334-H425 HydrophobicContact CH2-CB 3.7Å; W334-H425 VanDerWaalsContact CZ2-CA 3.46Å; W334-H425 HydrophobicContact CZ2-CB 3.22Å; W334-P426 HydrophobicContact CE3-CG 4.18Å; W334-P426 HydrophobicContact CH2-CG 4.01Å; W334-P426 HydrophobicContact CZ3-CG 3.58Å; W334-E441 WeakPolarHBondContact CH2-OE1 3.43Å; W334-E441 WeakPolarHBondContact CZ3-OE1 3.43Å
335Y92.1Very high90Very high25 Ų256.9 Ų6.910%0.0984%0.039CC..Hα-helixtrans-56.5-49.9174173.9-100.2000112.1I254 L258 F274 L283 C331 V338 D339I254-Y335 HydrophobicContact CD1-CD2 4.39Å; I254-Y335 HydrophobicContact CG1-CD2 4.37Å; I254-Y335 HydrophobicContact CG2-CD2 3.95Å; I254-Y335 HydrophobicContact CG2-CE2 3.85Å; L258-Y335 HydrophobicContact CD1-CD1 4.36Å; L258-Y335 HydrophobicContact CD1-CD2 3.45Å; L258-Y335 VanDerWaalsContact CD1-CD2 3.45Å; L258-Y335 HydrophobicContact CD1-CE2 4.15Å; L258-Y335 HydrophobicContact CD1-CG 3.56Å; F274-Y335 HydrophobicContact CD1-CD1 4.14Å; F274-Y335 AromaticContact CD1-CE1 3.57Å; F274-Y335 HydrophobicContact CD1-CE1 3.57Å; F274-Y335 HydrophobicContact CD1-CE2 4.49Å; F274-Y335 AromaticContact CD1-CZ 3.77Å; F274-Y335 AromaticContact CE1-CD1 3.98Å; F274-Y335 HydrophobicContact CE1-CD1 3.98Å; F274-Y335 AromaticContact CE1-CE1 3.91Å; F274-Y335 HydrophobicContact CE1-CE1 3.91Å; L283-Y335 HydrophobicContact CD1-CD1 4.2Å; L283-Y335 HydrophobicContact CD1-CE1 4.01Å; L283-Y335 HydrophobicContact CD2-CD1 4.27Å; L283-Y335 HydrophobicContact CD2-CE1 3.88Å; C331-Y335 VanDerWaalsContact O-CB 3.28Å; C331-Y335 WeakPolarHBondContact O-CB 3.39Å; C331-Y335 PolarHBondContact O-N 3.37Å; Y335-V338 PolarHBondContact O-N 3.2Å; Y335-D339 VanDerWaalsContact O-CB 3.28Å; Y335-D339 WeakPolarHBondContact O-CB 3.34Å; Y335-D339 PolarHBondContact O-N 3.18Å
336T91.7Very high89.6Confident0 Ų010.1 Ų10.10%05%0.054CC..Hα-helixtrans-63.9-45.1-178.7-53.60000111.1L283 V284 T287 M332 F333 W334 V338 L340 V400L283-T336 HydrophobicContact CD2-CG2 3.85Å; L283-T336 HydrophobicContact CG-CG2 3.77Å; L283-T336 WeakPolarHBondContact CG-OG1 3.33Å; V284-T336 HydrophobicContact CG2-CG2 4.47Å; T287-T336 PolarHBondContact OG1-OG1 3.2Å; M332-T336 VanDerWaalsContact O-CB 3.29Å; M332-T336 WeakPolarHBondContact O-CB 3.21Å; M332-T336 PolarHBondContact O-N 3.44Å; M332-T336 PolarHBondContact O-OG1 3.33Å; F333-T336 PolarHBondContact O-N 2.88Å; W334-T336 PolarHBondContact O-N 2.81Å; T336-V338 PolarHBondContact O-N 3.48Å; T336-L340 HydrophobicContact CG2-CD1 3.78Å; T336-L340 HydrophobicContact CG2-CG 4.23Å; T336-L340 WeakPolarHBondContact O-CB 3.08Å; T336-L340 WeakPolarHBondContact O-CG 3.41Å; T336-L340 PolarHBondContact O-N 2.89Å; T336-V400 HydrophobicContact CG2-CG2 3.75Å
337L93.4Very high89Confident1 Ų114.1 Ų14.11%0.0057%0.071CC..Hα-helixtrans-63-44.1-179.4179.361.1000111.5F333 W334 G341 I397 V400 W401F333-L337 HydrophobicContact CE1-CD2 4.04Å; F333-L337 HydrophobicContact CZ-CD2 3.93Å; F333-L337 WeakPolarHBondContact O-CB 3.37Å; F333-L337 PolarHBondContact O-N 2.94Å; W334-L337 HydrophobicContact CE3-CD2 4.18Å; W334-L337 HydrophobicContact CZ3-CD2 4.07Å; W334-L337 PolarHBondContact O-N 3.32Å; L337-G341 WeakPolarHBondContact O-CA 3.22Å; L337-G341 PolarHBondContact O-N 3.24Å; L337-I397 HydrophobicContact CD1-CG2 4.04Å; L337-V400 HydrophobicContact CB-CG1 4.32Å; L337-W401 HydrophobicContact CD1-CE3 3.7Å; L337-W401 HydrophobicContact CD1-CZ3 4.05Å; L337-W401 HydrophobicContact CD2-CE3 4.17Å; L337-W401 HydrophobicContact CD2-CZ3 4.05Å
338V91.8Very high88Confident5 Ų515 Ų153%0.038%0.076CC..Hα-helixtrans-68.9-44.5179.5172.20000111.7V224 I227 T228 W334 Y335 T336 T342V224-V338 HydrophobicContact CG1-CG2 3.79Å; I227-V338 HydrophobicContact CB-CG1 3.9Å; I227-V338 HydrophobicContact CG2-CG1 3.28Å; T228-V338 HydrophobicContact CG2-CB 4.39Å; T228-V338 HydrophobicContact CG2-CG1 4.13Å; T228-V338 HydrophobicContact CG2-CG2 3.42Å; T228-V338 VanDerWaalsContact CG2-CG2 3.42Å; W334-V338 WeakPolarHBondContact O-CB 3.24Å; W334-V338 VanDerWaalsContact O-CG2 3.24Å; W334-V338 WeakPolarHBondContact O-CG2 3.26Å; W334-V338 PolarHBondContact O-N 3.36Å; Y335-V338 PolarHBondContact O-N 3.2Å; T336-V338 PolarHBondContact O-N 3.48Å; V338-T342 HydrophobicContact CG1-CG2 4.19Å; V338-T342 WeakPolarHBondContact O-CB 3.21Å; V338-T342 WeakPolarHBondContact O-CG2 3.29Å; V338-T342 PolarHBondContact O-N 3.39Å; V338-T342 PolarHBondContact O-OG1 3.12Å
339D90.4Very high86.8Confident53 Ų5315.5 Ų15.528%0.2838%0.079SC..Hα-helixtrans-61.3-49.7178.9-175.456.5000111.2Y335 T342 A343Y335-D339 VanDerWaalsContact O-CB 3.28Å; Y335-D339 WeakPolarHBondContact O-CB 3.34Å; Y335-D339 PolarHBondContact O-N 3.18Å; D339-T342 PolarHBondContact O-OG1 3.4Å; D339-T342 VanDerWaalsContact O-OG1 3.07Å; D339-A343 VanDerWaalsContact O-CB 3.26Å; D339-A343 WeakPolarHBondContact O-CB 3.08Å; D339-A343 PolarHBondContact O-N 3.21Å
340L92Very high85.4Confident1 Ų120 Ų201%0.00510%0.103CC..Hα-helixtrans-67.9-43.6178.6-61-177.8000112.4V280 V284 T336 A343 Y344 L393 H396 I397V280-L340 HydrophobicContact CB-CD2 4.25Å; V280-L340 HydrophobicContact CG1-CD1 4.17Å; V280-L340 HydrophobicContact CG1-CD2 3.41Å; V280-L340 VanDerWaalsContact CG1-CD2 3.41Å; V280-L340 HydrophobicContact CG1-CG 4.44Å; V280-L340 HydrophobicContact CG2-CD2 3.95Å; V284-L340 HydrophobicContact CG2-CD1 3.85Å; T336-L340 HydrophobicContact CG2-CD1 3.78Å; T336-L340 HydrophobicContact CG2-CG 4.23Å; T336-L340 WeakPolarHBondContact O-CB 3.08Å; T336-L340 WeakPolarHBondContact O-CG 3.41Å; T336-L340 PolarHBondContact O-N 2.89Å; L340-A343 PolarHBondContact O-N 3.08Å; L340-Y344 VanDerWaalsContact O-CB 3.28Å; L340-Y344 WeakPolarHBondContact O-CB 3.4Å; L340-Y344 PolarHBondContact O-N 3.47Å; L340-L393 HydrophobicContact CD2-CD2 4.08Å; L340-H396 HydrophobicContact CD1-CB 4.02Å; L340-I397 HydrophobicContact CB-CD1 4.27Å; L340-I397 HydrophobicContact CB-CG1 3.6Å
341G91.1Very high83.8Confident0 Ų025.7 Ų25.70%012%0.124CC..Hα-helixtrans-63-44.4179.700000112.1L337 Y344 L345L337-G341 WeakPolarHBondContact O-CA 3.22Å; L337-G341 PolarHBondContact O-N 3.24Å; G341-Y344 PolarHBondContact O-N 2.98Å; G341-L345 WeakPolarHBondContact O-CB 2.94Å; G341-L345 VanDerWaalsContact O-CG 3.31Å; G341-L345 WeakPolarHBondContact O-CG 3.27Å; G341-L345 PolarHBondContact O-N 2.87Å
342T88.4Confident82.4Confident4 Ų426.1 Ų26.13%0.02513%0.127CC..Hα-helixtrans-66.7-42.2175.358.60000111.8I227 V338 D339 Y344 L345 H346 F353 F440I227-T342 HydrophobicContact CG2-CG2 3.79Å; V338-T342 HydrophobicContact CG1-CG2 4.19Å; V338-T342 WeakPolarHBondContact O-CB 3.21Å; V338-T342 WeakPolarHBondContact O-CG2 3.29Å; V338-T342 PolarHBondContact O-N 3.39Å; V338-T342 PolarHBondContact O-OG1 3.12Å; D339-T342 PolarHBondContact O-OG1 3.4Å; D339-T342 VanDerWaalsContact O-OG1 3.07Å; T342-Y344 VanDerWaalsContact C-N 3.3Å; T342-Y344 PolarHBondContact O-N 3.39Å; T342-L345 PolarHBondContact O-N 2.82Å; T342-H346 VanDerWaalsContact O-CB 3.31Å; T342-H346 WeakPolarHBondContact O-CB 3.45Å; T342-H346 PolarHBondContact O-CD2 3.37Å; T342-H346 PolarHBondContact O-N 3.36Å; T342-F353 HydrophobicContact CG2-CZ 4.46Å; T342-F440 HydrophobicContact CG2-CE2 3.77Å; T342-F440 HydrophobicContact CG2-CZ 4.09Å
343A87.6Confident81.2Confident31 Ų3126.8 Ų26.826%0.25613%0.129SC..Hα-helixtrans-61.3-39.1175.900000112.3D339 L340 K347 L393D339-A343 VanDerWaalsContact O-CB 3.26Å; D339-A343 WeakPolarHBondContact O-CB 3.08Å; D339-A343 PolarHBondContact O-N 3.21Å; L340-A343 PolarHBondContact O-N 3.08Å; A343-K347 WeakPolarHBondContact O-CG 3.16Å; A343-L393 HydrophobicContact CB-CD1 4.4Å
344Y86.1Confident79.7Confident3 Ų330.7 Ų30.71%0.01215%0.15CC..Hα-helixtrans-66.9-53.4175.1170.8-109000111.6L340 G341 T342 H346 K347 V348 P369 A390 L393 L394 I397 I444 H447L340-Y344 VanDerWaalsContact O-CB 3.28Å; L340-Y344 WeakPolarHBondContact O-CB 3.4Å; L340-Y344 PolarHBondContact O-N 3.47Å; G341-Y344 PolarHBondContact O-N 2.98Å; T342-Y344 VanDerWaalsContact C-N 3.3Å; T342-Y344 PolarHBondContact O-N 3.39Å; Y344-H346 VanDerWaalsContact C-N 3.29Å; Y344-H346 PolarHBondContact O-N 3.21Å; Y344-K347 WeakPolarHBondContact O-CA 3.47Å; Y344-K347 WeakPolarHBondContact O-CB 3.48Å; Y344-K347 PolarHBondContact O-N 3.03Å; Y344-V348 HydrophobicContact CD1-CG2 4.18Å; Y344-V348 HydrophobicContact CD2-CG1 4.15Å; Y344-V348 HydrophobicContact CD2-CG2 4.47Å; Y344-V348 HydrophobicContact CE1-CG2 3.84Å; Y344-V348 HydrophobicContact CE2-CG1 3.63Å; Y344-V348 HydrophobicContact CE2-CG2 4.12Å; Y344-V348 HydrophobicContact CG-CG2 4.5Å; Y344-V348 WeakPolarHBondContact O-CG2 3.41Å; Y344-V348 PolarHBondContact O-N 3.21Å; Y344-P369 VanDerWaalsContact OH-CG 3.32Å; Y344-P369 WeakPolarHBondContact OH-CG 3.42Å; Y344-A390 HydrophobicContact CD2-CB 4.38Å; Y344-A390 WeakPolarHBondContact CD2-O 3.39Å; Y344-A390 HydrophobicContact CE2-CB 4.27Å; Y344-L393 HydrophobicContact CD2-CB 4.37Å; Y344-L394 HydrophobicContact CD1-CD1 4.42Å; Y344-L394 HydrophobicContact CD2-CB 4.45Å; Y344-L394 HydrophobicContact CE1-CD1 3.89Å; Y344-L394 HydrophobicContact CE2-CB 4.08Å; Y344-L394 HydrophobicContact CE2-CD1 4.27Å; Y344-I397 HydrophobicContact CD1-CD1 4.22Å; Y344-I397 HydrophobicContact CG-CD1 4.01Å; Y344-I444 HydrophobicContact CD1-CD1 3.74Å; Y344-I444 HydrophobicContact CE1-CD1 4.22Å; Y344-H447 HydrophobicContact CE1-CB 4.17Å; Y344-H447 AromaticContact CE1-ND1 3.35Å; Y344-H447 VanDerWaalsContact CE1-ND1 3.35Å; Y344-H447 WeakPolarHBondContact CE1-ND1 3.5Å; Y344-H447 AromaticContact CZ-ND1 3.49Å; Y344-H447 PolarHBondContact OH-ND1 3.45Å
345L80.4Confident77.8Confident0 Ų033.2 Ų33.20%018%0.177CC..Hα-helixtrans-63.3-34-179.1-69.1178.3000112.2G341 T342 K347 V348 H349 N350 F353 F440 I443 I444G341-L345 WeakPolarHBondContact O-CB 2.94Å; G341-L345 VanDerWaalsContact O-CG 3.31Å; G341-L345 WeakPolarHBondContact O-CG 3.27Å; G341-L345 PolarHBondContact O-N 2.87Å; T342-L345 PolarHBondContact O-N 2.82Å; L345-K347 PolarHBondContact O-N 3.16Å; L345-V348 HydrophobicContact CD2-CG2 4.3Å; L345-H349 HydrophobicContact CD2-CB 4.48Å; L345-H349 CarbonylContact O-C 3.37Å; L345-H349 WeakPolarHBondContact O-CA 3.39Å; L345-H349 WeakPolarHBondContact O-CB 3.48Å; L345-H349 PolarHBondContact O-N 2.87Å; L345-N350 PolarHBondContact O-N 3.42Å; L345-F353 HydrophobicContact CB-CE2 3.62Å; L345-F353 HydrophobicContact CB-CZ 3.94Å; L345-F353 HydrophobicContact CD1-CZ 4.05Å; L345-F440 HydrophobicContact CD1-CD2 3.68Å; L345-F440 HydrophobicContact CD1-CE2 3.63Å; L345-I443 HydrophobicContact CD2-CG2 3.8Å; L345-I444 HydrophobicContact CD1-CD1 4Å; L345-I444 HydrophobicContact CD1-CG1 4.38Å; L345-I444 HydrophobicContact CD2-CD1 4.02Å; L345-I444 HydrophobicContact CG-CD1 3.81Å
346H78.7Confident75.5Confident84 Ų8436.9 Ų36.939%0.38921%0.206SC..Hα-helixtrans-66.5-13.2172.1-87.7-61.3000114.8T342 Y344 N350 F353T342-H346 VanDerWaalsContact O-CB 3.31Å; T342-H346 WeakPolarHBondContact O-CB 3.45Å; T342-H346 PolarHBondContact O-CD2 3.37Å; T342-H346 PolarHBondContact O-N 3.36Å; Y344-H346 VanDerWaalsContact C-N 3.29Å; Y344-H346 PolarHBondContact O-N 3.21Å; H346-N350 VanDerWaalsContact C-OD1 3.31Å; H346-N350 PolarHBondContact O-OD1 2.92Å; H346-F353 AromaticContact CE1-CD2 3.46Å; H346-F353 VanDerWaalsContact CE1-CD2 3.46Å; H346-F353 WeakPolarHBondContact CE1-CD2 3.14Å; H346-F353 AromaticContact ND1-CD2 3.63Å; H346-F353 AromaticContact NE2-CD2 3.79Å
347K74.9Confident73.1Confident86 Ų8640.7 Ų40.737%0.37423%0.229SC..Hα-helixtrans-98.2-40.3175.8-71.5180-176.7-171.80112.8A343 Y344 L345 N350 E389 L393A343-K347 WeakPolarHBondContact O-CG 3.16Å; Y344-K347 WeakPolarHBondContact O-CA 3.47Å; Y344-K347 WeakPolarHBondContact O-CB 3.48Å; Y344-K347 PolarHBondContact O-N 3.03Å; L345-K347 PolarHBondContact O-N 3.16Å; K347-N350 VanDerWaalsContact C-OD1 3.3Å; K347-N350 PolarHBondContact O-OD1 3.33Å; K347-E389 IonicContact NZ-OE1 2.6Å; K347-E389 PolarHBondContact NZ-OE1 2.98Å; K347-E389 IonicContact NZ-OE2 2.99Å; K347-E389 PolarHBondContact NZ-OE2 3.28Å; K347-L393 HydrophobicContact CD-CD1 3.99Å
348V67.9Low70.5Confident18 Ų1843.1 Ų43.111%0.10926%0.255CS..Hα-helixtrans-91.8-26.3-177.7-59.30000112.1Y344 L345 Y367 A390Y344-V348 HydrophobicContact CD1-CG2 4.18Å; Y344-V348 HydrophobicContact CD2-CG1 4.15Å; Y344-V348 HydrophobicContact CD2-CG2 4.47Å; Y344-V348 HydrophobicContact CE1-CG2 3.84Å; Y344-V348 HydrophobicContact CE2-CG1 3.63Å; Y344-V348 HydrophobicContact CE2-CG2 4.12Å; Y344-V348 HydrophobicContact CG-CG2 4.5Å; Y344-V348 WeakPolarHBondContact O-CG2 3.41Å; Y344-V348 PolarHBondContact O-N 3.21Å; L345-V348 HydrophobicContact CD2-CG2 4.3Å; V348-Y367 WeakPolarHBondContact O-CB 3.42Å; V348-Y367 VanDerWaalsContact O-CD2 3.3Å; V348-Y367 WeakPolarHBondContact O-CD2 3.29Å; V348-A390 HydrophobicContact CG1-CB 4.09Å
349H64.8Low68.2Low11 Ų1152.2 Ų52.25%0.05130%0.297CS..  trans-140.552.1-169.3-77.4-48.2000111.2L345 R351 I352 Y367 H447L345-H349 HydrophobicContact CD2-CB 4.48Å; L345-H349 CarbonylContact O-C 3.37Å; L345-H349 WeakPolarHBondContact O-CA 3.39Å; L345-H349 WeakPolarHBondContact O-CB 3.48Å; L345-H349 PolarHBondContact O-N 2.87Å; H349-R351 PolarHBondContact O-N 3.37Å; H349-I352 HydrophobicContact CB-CB 4.03Å; H349-I352 HydrophobicContact CB-CD1 3.41Å; H349-I352 VanDerWaalsContact CB-CD1 3.41Å; H349-I352 HydrophobicContact CB-CG1 3.65Å; H349-I352 VanDerWaalsContact CD2-CD1 3.5Å; H349-I352 WeakPolarHBondContact CD2-CD1 3.35Å; H349-I352 WeakPolarHBondContact O-CB 3.26Å; H349-I352 PolarHBondContact O-N 3.46Å; H349-Y367 PolarHBondContact CE1-O 3.17Å; H349-Y367 VanDerWaalsContact CE1-O 3.28Å; H349-Y367 PolarHBondContact NE2-O 3.24Å; H349-H447 AromaticContact CD2-CE1 3.29Å; H349-H447 PolarHBondContact CD2-CE1 2.68Å; H349-H447 AromaticContact CD2-NE2 3.61Å; H349-H447 AromaticContact NE2-CE1 2.95Å; H349-H447 PolarHBondContact NE2-CE1 2.84Å; H349-H447 AromaticContact NE2-NE2 2.99Å; H349-H447 PolarHBondContact NE2-NE2 3.16Å
350N61.9Low65.9Low94 Ų9452.9 Ų52.950%0.50331%0.306SS..G310 helixtrans-50.9-33.4-174.2-54.519.7000112.4L345 H346 K347L345-N350 PolarHBondContact O-N 3.42Å; H346-N350 VanDerWaalsContact C-OD1 3.31Å; H346-N350 PolarHBondContact O-OD1 2.92Å; K347-N350 VanDerWaalsContact C-OD1 3.3Å; K347-N350 PolarHBondContact O-OD1 3.33Å
351R58.3Low63.5Low120 Ų12059.8 Ų59.845%0.45335%0.348SS..G310 helixtrans-85.1-10.8-178.1-60.2-173.4176.9176.7-1.7115.3H349 F353 D354 S362H349-R351 PolarHBondContact O-N 3.37Å; R351-F353 PolarHBondContact O-N 3.27Å; R351-D354 WeakPolarHBondContact CA-OD2 3.28Å; R351-D354 PolarHBondContact O-N 3.47Å; R351-D354 VanDerWaalsContact O-N 3.08Å; R351-S362 PolarHBondContact NH1-OG 2.89Å; R351-S362 PolarHBondContact NH2-OG 3.45Å
352I62.7Low61Low11 Ų1161.8 Ų61.86%0.05636%0.362CS..G310 helixtrans-61.5-29176.9-79.9-175.5000110.7V230 H349 I443 L486V230-I352 HydrophobicContact CG1-CG2 3.57Å; V230-I352 HydrophobicContact CG2-CG2 4.16Å; H349-I352 HydrophobicContact CB-CB 4.03Å; H349-I352 HydrophobicContact CB-CD1 3.41Å; H349-I352 VanDerWaalsContact CB-CD1 3.41Å; H349-I352 HydrophobicContact CB-CG1 3.65Å; H349-I352 VanDerWaalsContact CD2-CD1 3.5Å; H349-I352 WeakPolarHBondContact CD2-CD1 3.35Å; H349-I352 WeakPolarHBondContact O-CB 3.26Å; H349-I352 PolarHBondContact O-N 3.46Å; I352-I443 HydrophobicContact CD1-CD1 4.32Å; I352-I443 HydrophobicContact CD1-CG2 4.49Å; I352-L486 HydrophobicContact CG1-CD2 4.17Å
353F64.6Low58.6Low13 Ų1365.5 Ų65.56%0.05739%0.386CS..G310 helixtrans-91.4-8.7177.6-63-61.5000113.8V230 A232 T342 L345 H346 R351 G355 F440V230-F353 HydrophobicContact CG2-CE1 4.14Å; A232-F353 HydrophobicContact CB-CB 3.7Å; A232-F353 HydrophobicContact CB-CD1 3.89Å; A232-F353 HydrophobicContact CB-CG 4.21Å; A232-F353 VanDerWaalsContact CB-O 3.32Å; A232-F353 WeakPolarHBondContact CB-O 2.99Å; A232-F353 PolarHBondContact N-O 2.86Å; T342-F353 HydrophobicContact CG2-CZ 4.46Å; L345-F353 HydrophobicContact CB-CE2 3.62Å; L345-F353 HydrophobicContact CB-CZ 3.94Å; L345-F353 HydrophobicContact CD1-CZ 4.05Å; H346-F353 AromaticContact CE1-CD2 3.46Å; H346-F353 VanDerWaalsContact CE1-CD2 3.46Å; H346-F353 WeakPolarHBondContact CE1-CD2 3.14Å; H346-F353 AromaticContact ND1-CD2 3.63Å; H346-F353 AromaticContact NE2-CD2 3.79Å; R351-F353 PolarHBondContact O-N 3.27Å; F353-G355 PolarHBondContact O-N 3.22Å; F353-F440 HydrophobicContact CZ-CD2 4.43Å; F353-F440 HydrophobicContact CZ-CE2 4.33Å
354D61Low56.7Low83 Ų8368.8 Ų68.844%0.44439%0.392SS..  trans-74.6101.2-177.1-71.3-18.9000110.7R351 S356R351-D354 WeakPolarHBondContact CA-OD2 3.28Å; R351-D354 PolarHBondContact O-N 3.47Å; R351-D354 VanDerWaalsContact O-N 3.08Å; D354-S356 PolarHBondContact O-N 2.88Å
355G53.8Low54.7Low55 Ų5570.3 Ų70.357%0.56740%0.402SS*.  trans-69.6-20.4173.300000113.8F353 V357F353-G355 PolarHBondContact O-N 3.22Å; G355-V357 PolarHBondContact O-N 3.47Å
356S44.6Very low53.1Low101 Ų10171.2 Ų71.271%0.70641%0.407SS*.  trans-88.879.6177.660.10000110.7D354 G358D354-S356 PolarHBondContact O-N 2.88Å; S356-G358 PolarHBondContact O-N 3.03Å
357V41.4Very low51.9Low80 Ų8071.2 Ų71.249%0.48540%0.404SS..  trans-7454.3169.6-167.60000109.5G355G355-V357 PolarHBondContact O-N 3.47Å
358G39.2Very low51.1Low53 Ų5367.5 Ų67.555%0.54639%0.388SS..  trans-74.8132.8170.500000108.8S356 S360S356-G358 PolarHBondContact O-N 3.03Å; G358-S360 PolarHBondContact O-N 3.39Å
359E43.5Very low50.7Low195 Ų19566.8 Ų66.891%0.91138%0.384SS*.  trans-12.748.2169.9-61.7177.1165.800118.8T361E359-T361 PolarHBondContact O-N 3.25Å; E359-T361 VanDerWaalsContact O-N 3.13Å
360S40.2Very low50.4Low68 Ų6866.5 Ų66.548%0.47638%0.382SS..  trans-76.3108.5172.877.50000107G358 S362G358-S360 PolarHBondContact O-N 3.39Å; S360-S362 PolarHBondContact O-N 3.13Å
361T42.2Very low50.2Low145 Ų14563.2 Ų63.289%0.8937%0.365SS*.  trans-69.5-6173.852.80000113.1E359E359-T361 PolarHBondContact O-N 3.25Å; E359-T361 VanDerWaalsContact O-N 3.13Å
362S39Very low50Low43 Ų4358.3 Ų58.330%0.30135%0.348SS..SBendtrans-69.9129.2176.460.80000110.5R351 S360R351-S362 PolarHBondContact NH1-OG 2.89Å; R351-S362 PolarHBondContact NH2-OG 3.45Å; S360-S362 PolarHBondContact O-N 3.13Å
363P39Very low49.4Very low81 Ų8160.6 Ų60.653%0.52636%0.36SS..  trans-54.4144.1172.4-13.925000110.7V365 E544P363-V365 PolarHBondContact O-N 3.5Å; P363-E544 WeakPolarHBondContact CB-OE2 3.38Å; P363-E544 WeakPolarHBondContact CG-OE2 3.36Å
364R47.2Very low48.7Very low100 Ų10060.5 Ų60.538%0.37736%0.36SS..  trans-81.8100.8177-68.8178.4176.1-169.2-8.6107.6L366 N485R364-L366 PolarHBondContact O-N 2.8Å; R364-N485 PolarHBondContact NH1-O 3.36Å
365V42.7Very low48Very low36 Ų3657.6 Ų57.622%0.21835%0.346CS..  trans-79.3116.2170.4-174.60000108.8P363 Y367 E544 I546P363-V365 PolarHBondContact O-N 3.5Å; V365-Y367 HydrophobicContact CB-CE2 4.47Å; V365-Y367 HydrophobicContact CG1-CE2 4.3Å; V365-E544 HydrophobicContact CG2-CB 3.75Å; V365-E544 HydrophobicContact CG2-CG 3.78Å; V365-E544 WeakPolarHBondContact CG2-OE2 3.48Å; V365-I546 HydrophobicContact CG1-CB 4.42Å; V365-I546 HydrophobicContact CG1-CG1 4.39Å; V365-I546 HydrophobicContact CG1-CG2 4.42Å
366L48.4Very low47.8Very low19 Ų1956.4 Ų56.410%0.09933%0.325CS..  trans-86.5132.4176.7-82.7154.8000111R364 Y487 E491 I546R364-L366 PolarHBondContact O-N 2.8Å; L366-Y487 HydrophobicContact CD1-CD1 3.93Å; L366-Y487 HydrophobicContact CD2-CD1 3.83Å; L366-Y487 HydrophobicContact CD2-CE1 3.89Å; L366-E491 WeakPolarHBondContact CD1-OE2 3.28Å; L366-I546 WeakPolarHBondContact O-CG2 3.22Å
367Y52.7Low47.8Very low84 Ų8453.9 Ų53.933%0.32930%0.303SS..  trans-106.1112.2173.3-59.4-99.2000109.2V348 H349 V365 C547V348-Y367 WeakPolarHBondContact O-CB 3.42Å; V348-Y367 VanDerWaalsContact O-CD2 3.3Å; V348-Y367 WeakPolarHBondContact O-CD2 3.29Å; H349-Y367 PolarHBondContact CE1-O 3.17Å; H349-Y367 VanDerWaalsContact CE1-O 3.28Å; H349-Y367 PolarHBondContact NE2-O 3.24Å; V365-Y367 HydrophobicContact CB-CE2 4.47Å; V365-Y367 HydrophobicContact CG1-CE2 4.3Å; Y367-C547 WeakPolarHBondContact CD1-O 3.17Å; Y367-C547 HydrophobicContact CE1-CB 4.18Å; Y367-C547 WeakPolarHBondContact CE1-O 3.41Å
368L59Low47.5Very low8 Ų851.4 Ų51.44%0.04229%0.29CS..  trans-119.6133178.8-68.6173.3000110.7I370 F446 H447 L450 I495 I548L368-I370 VanDerWaalsContact C-N 3.3Å; L368-I370 HydrophobicContact CB-CD1 4.46Å; L368-I370 HydrophobicContact CB-CG1 4.11Å; L368-I370 PolarHBondContact O-N 2.85Å; L368-F446 HydrophobicContact CD2-CE1 4.04Å; L368-H447 WeakPolarHBondContact CD2-NE2 3.35Å; L368-L450 HydrophobicContact CB-CD1 4.16Å; L368-L450 HydrophobicContact CD1-CD1 4.36Å; L368-L450 HydrophobicContact CD2-CD1 4.17Å; L368-L450 HydrophobicContact CG-CD1 4.48Å; L368-I495 HydrophobicContact CD1-CD1 3.12Å; L368-I495 HydrophobicContact CD1-CG1 3.88Å; L368-I548 WeakPolarHBondContact O-CD1 3.5Å; L368-I548 WeakPolarHBondContact O-CG1 3.24Å
369P58.6Low47.4Very low3 Ų354.2 Ų54.22%0.01930%0.296CS..  trans-80.373.2-177.937.2-41.1000110.7Y344 L394 H447 L450 S451 L554Y344-P369 VanDerWaalsContact OH-CG 3.32Å; Y344-P369 WeakPolarHBondContact OH-CG 3.42Å; P369-L394 HydrophobicContact CB-CD2 3.96Å; P369-L394 HydrophobicContact CG-CD2 4.03Å; P369-H447 VanDerWaalsContact CD-ND1 3.33Å; P369-H447 WeakPolarHBondContact CD-ND1 3.31Å; P369-H447 HydrophobicContact CG-CB 3.67Å; P369-H447 WeakPolarHBondContact CG-O 3.5Å; P369-L450 CarbonylContact O-C 3.46Å; P369-L450 WeakPolarHBondContact O-CB 3.23Å; P369-S451 WeakPolarHBondContact O-CA 3.47Å; P369-S451 PolarHBondContact O-N 2.68Å; P369-L554 VanDerWaalsContact CA-CD2 3.45Å; P369-L554 HydrophobicContact CB-CD1 3.41Å; P369-L554 VanDerWaalsContact CB-CD1 3.41Å; P369-L554 HydrophobicContact CB-CD2 3.66Å; P369-L554 HydrophobicContact CB-CG 4.1Å; P369-L554 WeakPolarHBondContact O-CD2 3.31Å
370I58.6Low46.9Very low5 Ų548.2 Ų48.23%0.02628%0.276CS..  trans-89.2114.5-179.8-52.2-175000111.3L368 L372 L450 L554 V555 F557L368-I370 VanDerWaalsContact C-N 3.3Å; L368-I370 HydrophobicContact CB-CD1 4.46Å; L368-I370 HydrophobicContact CB-CG1 4.11Å; L368-I370 PolarHBondContact O-N 2.85Å; I370-L372 HydrophobicContact CG2-CD2 3.93Å; I370-L372 PolarHBondContact O-N 3.42Å; I370-L450 CarbonylContact C-O 3.58Å; I370-L450 WeakPolarHBondContact CA-O 3.45Å; I370-L450 HydrophobicContact CD1-CD2 4.34Å; I370-L450 HydrophobicContact CG1-CB 4.2Å; I370-L450 HydrophobicContact CG1-CD1 4.14Å; I370-L450 HydrophobicContact CG1-CD2 4.1Å; I370-L450 HydrophobicContact CG1-CG 4.39Å; I370-L554 WeakPolarHBondContact O-CA 3.33Å; I370-V555 PolarHBondContact O-N 3.1Å; I370-F557 HydrophobicContact CD1-CD2 4.47Å; I370-F557 HydrophobicContact CD1-CE2 3.28Å; I370-F557 HydrophobicContact CD1-CZ 3.32Å; I370-F557 HydrophobicContact CG1-CE2 4.49Å
371N57.5Low46.7Very low24 Ų2452 Ų5213%0.12829%0.286CS..  trans-85.9107.9173179.22000110.5D373 I374 P375 L450 S451 P553 L554N371-D373 VanDerWaalsContact C-N 3.26Å; N371-D373 PolarHBondContact O-N 3.1Å; N371-D373 WeakPolarHBondContact OD1-CA 2.98Å; N371-D373 WeakPolarHBondContact OD1-CB 3.43Å; N371-D373 PolarHBondContact OD1-N 3.38Å; N371-I374 HydrophobicContact CB-CD1 3.97Å; N371-I374 HydrophobicContact CB-CG1 3.96Å; N371-I374 WeakPolarHBondContact O-CD1 3.33Å; N371-I374 VanDerWaalsContact O-CG1 3.28Å; N371-I374 WeakPolarHBondContact O-CG1 3.38Å; N371-I374 PolarHBondContact O-N 3.34Å; N371-P375 VanDerWaalsContact O-CD 3.29Å; N371-P375 WeakPolarHBondContact O-CD 3.32Å; N371-L450 PolarHBondContact N-O 3.18Å; N371-S451 WeakPolarHBondContact CB-O 3.4Å; N371-S451 PolarHBondContact ND2-O 3.4Å; N371-S451 VanDerWaalsContact ND2-O 3.08Å; N371-P553 VanDerWaalsContact CA-O 3.26Å; N371-P553 WeakPolarHBondContact CA-O 3.47Å; N371-L554 HydrophobicContact CB-CD2 4.48Å
372L54Low46.5Very low18 Ų1855.1 Ų55.19%0.09429%0.287CS..THydrogen-bonded Turntrans-75.3-13.9178.5-64.5-168.1000113I370 I374 P375 F376 V555 V565I370-L372 HydrophobicContact CG2-CD2 3.93Å; I370-L372 PolarHBondContact O-N 3.42Å; L372-I374 PolarHBondContact O-N 2.93Å; L372-P375 VanDerWaalsContact C-CD 3.49Å; L372-P375 HydrophobicContact CD2-CG 4.24Å; L372-P375 WeakPolarHBondContact O-CD 3.24Å; L372-P375 WeakPolarHBondContact O-CG 3.33Å; L372-F376 HydrophobicContact CB-CD2 3.94Å; L372-F376 HydrophobicContact CB-CE2 3.92Å; L372-F376 HydrophobicContact CD1-CE2 4.28Å; L372-F376 HydrophobicContact CD2-CE2 4.46Å; L372-F376 HydrophobicContact CG-CE2 4.46Å; L372-F376 WeakPolarHBondContact O-CB 3.48Å; L372-F376 WeakPolarHBondContact O-CD2 3.34Å; L372-F376 WeakPolarHBondContact O-CG 3.47Å; L372-F376 PolarHBondContact O-N 3.02Å; L372-F376 VanDerWaalsContact O-N 3.14Å; L372-V555 HydrophobicContact CB-CG2 4.29Å; L372-V555 HydrophobicContact CD1-CB 3.48Å; L372-V555 VanDerWaalsContact CD1-CB 3.48Å; L372-V555 HydrophobicContact CD1-CG1 3.66Å; L372-V555 HydrophobicContact CD1-CG2 3.48Å; L372-V555 VanDerWaalsContact CD1-CG2 3.48Å; L372-V555 HydrophobicContact CG-CB 3.89Å; L372-V555 HydrophobicContact CG-CG2 3.81Å; L372-V565 HydrophobicContact CD1-CG2 3.72Å; L372-V565 HydrophobicContact CD2-CG2 3.93Å
373D50.6Low46.3Very low59 Ų5960.1 Ų60.132%0.31631%0.31SS..Hα-helixtrans-65.5-23.2172.7-59.4-17.8000111.2N371 F376 N377 S378N371-D373 VanDerWaalsContact C-N 3.26Å; N371-D373 PolarHBondContact O-N 3.1Å; N371-D373 WeakPolarHBondContact OD1-CA 2.98Å; N371-D373 WeakPolarHBondContact OD1-CB 3.43Å; N371-D373 PolarHBondContact OD1-N 3.38Å; D373-F376 CarbonylContact O-C 3.54Å; D373-N377 WeakPolarHBondContact O-CA 3.48Å; D373-N377 PolarHBondContact O-N 3.07Å; D373-S378 WeakPolarHBondContact CB-OG 3.12Å; D373-S378 VanDerWaalsContact CG-OG 3.31Å; D373-S378 PolarHBondContact OD1-OG 2.83Å
374I49.4Very low46.2Very low11 Ų1161.2 Ų61.26%0.05631%0.311CS..Hα-helixtrans-66-59175-43.7164.5000111N371 L372 F376 N377 G452 N455 T502 H506N371-I374 HydrophobicContact CB-CD1 3.97Å; N371-I374 HydrophobicContact CB-CG1 3.96Å; N371-I374 WeakPolarHBondContact O-CD1 3.33Å; N371-I374 VanDerWaalsContact O-CG1 3.28Å; N371-I374 WeakPolarHBondContact O-CG1 3.38Å; N371-I374 PolarHBondContact O-N 3.34Å; L372-I374 PolarHBondContact O-N 2.93Å; I374-F376 PolarHBondContact O-N 2.83Å; I374-N377 PolarHBondContact O-N 2.87Å; I374-G452 VanDerWaalsContact CD1-N 3.32Å; I374-N455 HydrophobicContact CD1-CB 4.39Å; I374-N455 HydrophobicContact CG2-CB 4Å; I374-T502 HydrophobicContact CB-CG2 4.22Å; I374-T502 HydrophobicContact CG2-CG2 3.48Å; I374-T502 VanDerWaalsContact CG2-CG2 3.48Å; I374-H506 WeakPolarHBondContact CG2-NE2 3.23Å
375P46.4Very low45.8Very low22 Ų2261 Ų6114%0.14333%0.325CS..Hα-helixtrans-64.9-21.8177.224.7-34.4000113N371 L372N371-P375 VanDerWaalsContact O-CD 3.29Å; N371-P375 WeakPolarHBondContact O-CD 3.32Å; L372-P375 VanDerWaalsContact C-CD 3.49Å; L372-P375 HydrophobicContact CD2-CG 4.24Å; L372-P375 WeakPolarHBondContact O-CD 3.24Å; L372-P375 WeakPolarHBondContact O-CG 3.33Å
376F50.5Low45.7Very low30 Ų3065.3 Ų65.313%0.13234%0.341CS..Hα-helixtrans-104.24.4-177.6-56.4-53.4000114.8L372 D373 I374 S378 F564 V565 K568 A611L372-F376 HydrophobicContact CB-CD2 3.94Å; L372-F376 HydrophobicContact CB-CE2 3.92Å; L372-F376 HydrophobicContact CD1-CE2 4.28Å; L372-F376 HydrophobicContact CD2-CE2 4.46Å; L372-F376 HydrophobicContact CG-CE2 4.46Å; L372-F376 WeakPolarHBondContact O-CB 3.48Å; L372-F376 WeakPolarHBondContact O-CD2 3.34Å; L372-F376 WeakPolarHBondContact O-CG 3.47Å; L372-F376 PolarHBondContact O-N 3.02Å; L372-F376 VanDerWaalsContact O-N 3.14Å; D373-F376 CarbonylContact O-C 3.54Å; I374-F376 PolarHBondContact O-N 2.83Å; F376-S378 VanDerWaalsContact C-N 3.3Å; F376-S378 PolarHBondContact O-N 2.75Å; F376-S378 VanDerWaalsContact O-N 3.12Å; F376-F564 HydrophobicContact CE2-CD1 4.45Å; F376-F564 HydrophobicContact CE2-CE1 4.07Å; F376-F564 HydrophobicContact CZ-CD1 4.47Å; F376-F564 HydrophobicContact CZ-CE1 4.27Å; F376-V565 HydrophobicContact CE2-CG2 4.03Å; F376-V565 HydrophobicContact CZ-CB 4.26Å; F376-V565 HydrophobicContact CZ-CG1 4.23Å; F376-V565 HydrophobicContact CZ-CG2 3.95Å; F376-K568 HydrophobicContact CD1-CB 4.41Å; F376-K568 HydrophobicContact CD1-CD 3.87Å; F376-K568 HydrophobicContact CE1-CB 3.56Å; F376-K568 HydrophobicContact CE1-CD 3.68Å; F376-K568 HydrophobicContact CE1-CG 4.19Å; F376-K568 HydrophobicContact CZ-CB 4.17Å; F376-K568 HydrophobicContact CZ-CD 4.26Å; F376-A611 WeakPolarHBondContact O-CB 3.46Å
377N44.1Very low45.8Very low47 Ų4769.1 Ų69.125%0.25136%0.359SS..THydrogen-bonded Turntrans39.150.5175.9-84.5-30000114.5D373 I374 T379D373-N377 WeakPolarHBondContact O-CA 3.48Å; D373-N377 PolarHBondContact O-N 3.07Å; I374-N377 PolarHBondContact O-N 2.87Å; N377-T379 PolarHBondContact O-N 3.42Å; N377-T379 VanDerWaalsContact O-N 3.11Å
378S36Very low46.4Very low29 Ų2968.5 Ų68.520%0.20336%0.361CS..  trans-78.695.1172.356.20000110.2D373 F376 S380D373-S378 WeakPolarHBondContact CB-OG 3.12Å; D373-S378 VanDerWaalsContact CG-OG 3.31Å; D373-S378 PolarHBondContact OD1-OG 2.83Å; F376-S378 VanDerWaalsContact C-N 3.3Å; F376-S378 PolarHBondContact O-N 2.75Å; F376-S378 VanDerWaalsContact O-N 3.12Å; S378-S380 PolarHBondContact O-N 2.89Å
379T35.6Very low47.1Very low112 Ų11273.8 Ų73.869%0.68739%0.385SS*.  trans-7753.6173.541.30000112.6N377N377-T379 PolarHBondContact O-N 3.42Å; N377-T379 VanDerWaalsContact O-N 3.11Å
380S33.2Very low47.9Very low69 Ų6974.3 Ų74.348%0.48339%0.39SS..  trans-178.7126.6163.950.80000107.7S378S378-S380 PolarHBondContact O-N 2.89Å
381H36.3Very low48.6Very low147 Ų14774.7 Ų74.768%0.68139%0.392SS*.  -163.1140.261.6-79.8-83.9000111.5N383H381-N383 PolarHBondContact O-N 3.46Å; H381-N383 VanDerWaalsContact O-N 3.12Å
382K38.3Very low49.7Very low211 Ų21176 Ų7692%0.91740%0.398SS*.THydrogen-bonded Turntrans-68.63.6177.3-84.4-177.2173.2179.10116.5
383N35.1Very low51.3Low147 Ų14775.5 Ų75.579%0.78640%0.396SS*.THydrogen-bonded Turntrans-132.213-159.6-76.4-6000118.3H381 S385H381-N383 PolarHBondContact O-N 3.46Å; H381-N383 VanDerWaalsContact O-N 3.12Å; N383-S385 PolarHBondContact O-N 2.86Å
384L36.5Very low52.9Low105 Ų10572.7 Ų72.755%0.5538%0.381SS..  trans-95.976.5168.1-82.2151.1000109.9F386L384-F386 HydrophobicContact CD2-CD2 4.19Å; L384-F386 HydrophobicContact CD2-CE2 4Å; L384-F386 PolarHBondContact O-N 3.5Å
385S37.6Very low54.7Low96 Ų9675.8 Ų75.867%0.67139%0.394SS*.  trans-78.767.7174.968.80000111.1N383 E387N383-S385 PolarHBondContact O-N 2.86Å; S385-E387 PolarHBondContact O-N 3.47Å
386F42.2Very low56.8Low125 Ų12576.2 Ų76.255%0.54839%0.394SS..  trans-90.966.8158.7-73.8-76000107.8L384 N388 I551L384-F386 HydrophobicContact CD2-CD2 4.19Å; L384-F386 HydrophobicContact CD2-CE2 4Å; L384-F386 PolarHBondContact O-N 3.5Å; F386-N388 PolarHBondContact O-N 3.47Å; F386-I551 HydrophobicContact CD2-CG2 4.19Å; F386-I551 HydrophobicContact CE2-CG2 4.45Å
387E50.6Low58.8Low100 Ų10074.8 Ų74.847%0.46739%0.388SS..  trans-72.294-179.9-65.6-160.8142.800109.7S385 I392 K395S385-E387 PolarHBondContact O-N 3.47Å; E387-I392 HydrophobicContact CB-CD1 3.72Å; E387-I392 HydrophobicContact CB-CG1 3.59Å; E387-I392 HydrophobicContact CG-CG1 4.38Å; E387-K395 IonicContact OE1-NZ 2.84Å; E387-K395 PolarHBondContact OE1-NZ 2.75Å
388N65Low61Low71 Ų7175.1 Ų75.138%0.3839%0.388SS..  trans-62.8139.7162.6-172.5-15.2000108.2F386 A390 M391 I392F386-N388 PolarHBondContact O-N 3.47Å; N388-A390 PolarHBondContact O-N 2.82Å; N388-A390 VanDerWaalsContact O-N 3.08Å; N388-M391 WeakPolarHBondContact O-CA 3.5Å; N388-M391 WeakPolarHBondContact O-CB 3.38Å; N388-M391 PolarHBondContact O-N 3.04Å; N388-I392 PolarHBondContact O-N 3.26Å
389E73.5Confident63.6Low118 Ų11877 Ų7755%0.55139%0.393SS*.Hα-helixtrans-53.3-33.7-177.3-156.3-172.116300112.7K347 I392 L393K347-E389 IonicContact NZ-OE1 2.6Å; K347-E389 PolarHBondContact NZ-OE1 2.98Å; K347-E389 IonicContact NZ-OE2 2.99Å; K347-E389 PolarHBondContact NZ-OE2 3.28Å; E389-I392 PolarHBondContact O-N 3.28Å; E389-L393 WeakPolarHBondContact O-CG 3.49Å; E389-L393 PolarHBondContact O-N 3.14Å
390A74.9Confident66.4Low15 Ų1571.6 Ų71.612%0.12436%0.36CS..Hα-helixtrans-64.3-38.7174.600000113Y344 V348 N388 L393 L394Y344-A390 HydrophobicContact CD2-CB 4.38Å; Y344-A390 WeakPolarHBondContact CD2-O 3.39Å; Y344-A390 HydrophobicContact CE2-CB 4.27Å; V348-A390 HydrophobicContact CG1-CB 4.09Å; N388-A390 PolarHBondContact O-N 2.82Å; N388-A390 VanDerWaalsContact O-N 3.08Å; A390-L393 PolarHBondContact O-N 3.18Å; A390-L394 WeakPolarHBondContact O-CB 3.39Å; A390-L394 PolarHBondContact O-N 3.22Å
391M73.9Confident69.1Low13 Ų1368.5 Ų68.56%0.06434%0.338CS..Hα-helixtrans-72.7-34.2174.9-82.6-57.8-68.600112.3N388 L393 L394 K395 P553 L554N388-M391 WeakPolarHBondContact O-CA 3.5Å; N388-M391 WeakPolarHBondContact O-CB 3.38Å; N388-M391 PolarHBondContact O-N 3.04Å; M391-L393 VanDerWaalsContact C-N 3.34Å; M391-L394 PolarHBondContact O-N 3.48Å; M391-L394 HydrophobicContact SD-CD2 4.13Å; M391-K395 WeakPolarHBondContact O-CB 3.32Å; M391-K395 VanDerWaalsContact O-CG 3.31Å; M391-K395 WeakPolarHBondContact O-CG 3.49Å; M391-K395 PolarHBondContact O-N 2.9Å; M391-P553 HydrophobicContact CE-CG 3.82Å; M391-L554 HydrophobicContact CE-CD2 4.48Å; M391-L554 HydrophobicContact CG-CD1 3.65Å; M391-L554 HydrophobicContact CG-CG 4.18Å; M391-L554 HydrophobicContact SD-CD1 3.26Å; M391-L554 WeakPolarHBondContact SD-CD1 3.42Å; M391-L554 HydrophobicContact SD-CD2 3.95Å; M391-L554 HydrophobicContact SD-CG 3.72Å
392I80.8Confident71.6Confident50 Ų5064.1 Ų64.126%0.25633%0.332SS..Hα-helixtrans-60.5-48.3171.8-61.3176000109.4E387 N388 E389 L394 K395 H396E387-I392 HydrophobicContact CB-CD1 3.72Å; E387-I392 HydrophobicContact CB-CG1 3.59Å; E387-I392 HydrophobicContact CG-CG1 4.38Å; N388-I392 PolarHBondContact O-N 3.26Å; E389-I392 PolarHBondContact O-N 3.28Å; I392-L394 PolarHBondContact O-N 3.49Å; I392-K395 PolarHBondContact O-N 3.38Å; I392-H396 PolarHBondContact O-CD2 2.99Å; I392-H396 PolarHBondContact O-N 3.29Å
393L86.5Confident74Confident9 Ų955.3 Ų55.35%0.04730%0.295CS..Hα-helixtrans-59.1-47175.3-72172.6000111.3V280 L340 A343 Y344 K347 E389 A390 M391 K395 H396 I397V280-L393 HydrophobicContact CG1-CD2 4.48Å; V280-L393 HydrophobicContact CG2-CD2 4.21Å; L340-L393 HydrophobicContact CD2-CD2 4.08Å; A343-L393 HydrophobicContact CB-CD1 4.4Å; Y344-L393 HydrophobicContact CD2-CB 4.37Å; K347-L393 HydrophobicContact CD-CD1 3.99Å; E389-L393 WeakPolarHBondContact O-CG 3.49Å; E389-L393 PolarHBondContact O-N 3.14Å; A390-L393 PolarHBondContact O-N 3.18Å; M391-L393 VanDerWaalsContact C-N 3.34Å; L393-K395 PolarHBondContact O-N 3.02Å; L393-H396 PolarHBondContact O-N 2.87Å; L393-I397 VanDerWaalsContact O-CG1 3.23Å; L393-I397 WeakPolarHBondContact O-CG1 3.23Å; L393-I397 PolarHBondContact O-N 3.28Å
394L84.9Confident76.5Confident0 Ų048.7 Ų48.70%026%0.259CS..Hα-helixtrans-64.1-37.6-179.6-166.363.8000112.8Y344 P369 A390 M391 I392 I397 H398 H447 L448 L453Y344-L394 HydrophobicContact CD1-CD1 4.42Å; Y344-L394 HydrophobicContact CD2-CB 4.45Å; Y344-L394 HydrophobicContact CE1-CD1 3.89Å; Y344-L394 HydrophobicContact CE2-CB 4.08Å; Y344-L394 HydrophobicContact CE2-CD1 4.27Å; P369-L394 HydrophobicContact CB-CD2 3.96Å; P369-L394 HydrophobicContact CG-CD2 4.03Å; A390-L394 WeakPolarHBondContact O-CB 3.39Å; A390-L394 PolarHBondContact O-N 3.22Å; M391-L394 PolarHBondContact O-N 3.48Å; M391-L394 HydrophobicContact SD-CD2 4.13Å; I392-L394 PolarHBondContact O-N 3.49Å; L394-I397 PolarHBondContact O-N 3.43Å; L394-H398 WeakPolarHBondContact O-CB 3.43Å; L394-H398 PolarHBondContact O-N 3.1Å; L394-H447 HydrophobicContact CD1-CB 4.36Å; L394-L448 HydrophobicContact CD1-CD2 3.69Å; L394-L448 HydrophobicContact CD1-CG 4.27Å; L394-L448 HydrophobicContact CG-CD2 3.93Å; L394-L453 HydrophobicContact CB-CD1 4.35Å; L394-L453 HydrophobicContact CD2-CD1 4.08Å; L394-L453 HydrophobicContact CG-CD1 3.8Å
395K86.1Confident78.6Confident76 Ų7649.2 Ų49.233%0.3326%0.259SS..Hα-helixtrans-63-43.3172-76.2174.4179.3-1760111.8E387 M391 I392 L393 H398 E399 L453E387-K395 IonicContact OE1-NZ 2.84Å; E387-K395 PolarHBondContact OE1-NZ 2.75Å; M391-K395 WeakPolarHBondContact O-CB 3.32Å; M391-K395 VanDerWaalsContact O-CG 3.31Å; M391-K395 WeakPolarHBondContact O-CG 3.49Å; M391-K395 PolarHBondContact O-N 2.9Å; I392-K395 PolarHBondContact O-N 3.38Å; L393-K395 PolarHBondContact O-N 3.02Å; K395-H398 WeakPolarHBondContact O-CB 3.43Å; K395-H398 PolarHBondContact O-N 3.41Å; K395-E399 WeakPolarHBondContact O-CG 3.44Å; K395-E399 PolarHBondContact O-N 2.97Å; K395-L453 HydrophobicContact CG-CD1 4.29Å; K395-L453 HydrophobicContact CG-CD2 4.12Å
396H90.8Very high80.4Confident31 Ų3146.9 Ų46.914%0.14424%0.235CC..Hα-helixtrans-67.2-38.6176.7-75.7-39.9000112.6V280 V284 L340 I392 L393 H398 E399 V400V280-H396 HydrophobicContact CG1-CB 3.89Å; V280-H396 WeakPolarHBondContact CG1-CD2 2.94Å; V284-H396 HydrophobicContact CG2-CB 3.81Å; L340-H396 HydrophobicContact CD1-CB 4.02Å; I392-H396 PolarHBondContact O-CD2 2.99Å; I392-H396 PolarHBondContact O-N 3.29Å; L393-H396 PolarHBondContact O-N 2.87Å; H396-H398 VanDerWaalsContact C-N 3.33Å; H396-E399 IonicContact ND1-OE1 2.7Å; H396-E399 PolarHBondContact ND1-OE1 3.27Å; H396-E399 PolarHBondContact O-N 2.93Å; H396-V400 WeakPolarHBondContact O-CG2 3.16Å; H396-V400 PolarHBondContact O-N 2.64Å
397I92.6Very high81.6Confident0 Ų044.3 Ų44.30%023%0.23CC..Hα-helixtrans-59-48.2170-68.2163.8000109.2L337 L340 Y344 L393 L394 E399 V400 W401 I444L337-I397 HydrophobicContact CD1-CG2 4.04Å; L340-I397 HydrophobicContact CB-CD1 4.27Å; L340-I397 HydrophobicContact CB-CG1 3.6Å; Y344-I397 HydrophobicContact CD1-CD1 4.22Å; Y344-I397 HydrophobicContact CG-CD1 4.01Å; L393-I397 VanDerWaalsContact O-CG1 3.23Å; L393-I397 WeakPolarHBondContact O-CG1 3.23Å; L393-I397 PolarHBondContact O-N 3.28Å; L394-I397 PolarHBondContact O-N 3.43Å; I397-E399 VanDerWaalsContact C-N 3.32Å; I397-E399 PolarHBondContact O-N 2.83Å; I397-V400 PolarHBondContact O-N 3.2Å; I397-V400 VanDerWaalsContact O-N 3.14Å; I397-W401 WeakPolarHBondContact O-CB 3.34Å; I397-W401 PolarHBondContact O-N 3.36Å; I397-I444 HydrophobicContact CD1-CD1 4.5Å; I397-I444 HydrophobicContact CG2-CG2 3.59Å
398H90.4Very high82Confident54 Ų5444.6 Ų44.625%0.2524%0.243CC..Hα-helixtrans-58.2-41.1177.9-179.6-111.8000112.9L394 K395 H396 V400 W401 G402 L448 L453L394-H398 WeakPolarHBondContact O-CB 3.43Å; L394-H398 PolarHBondContact O-N 3.1Å; K395-H398 WeakPolarHBondContact O-CB 3.43Å; K395-H398 PolarHBondContact O-N 3.41Å; H396-H398 VanDerWaalsContact C-N 3.33Å; H398-V400 VanDerWaalsContact C-N 3.32Å; H398-V400 PolarHBondContact O-N 3.45Å; H398-W401 PolarHBondContact O-N 3.07Å; H398-G402 PolarHBondContact O-N 3.05Å; H398-L448 HydrophobicContact CB-CD2 3.71Å; H398-L453 HydrophobicContact CB-CB 4.31Å; H398-L453 HydrophobicContact CB-CD1 4.1Å; H398-L453 PolarHBondContact CE1-O 2.99Å; H398-L453 PolarHBondContact NE2-O 3.2Å; H398-L453 VanDerWaalsContact NE2-O 3.1Å
399E91.8Very high81.9Confident67 Ų6744.1 Ų44.131%0.31325%0.249SC..Hα-helixtrans-61.7-39.1176.1-76-174.2-124.800113.2V284 R288 K395 H396 I397V284-E399 HydrophobicContact CG1-CB 3.84Å; R288-E399 IonicContact CZ-OE2 3.27Å; R288-E399 IonicContact NH1-OE2 2.79Å; R288-E399 PolarHBondContact NH1-OE2 3.11Å; K395-E399 WeakPolarHBondContact O-CG 3.44Å; K395-E399 PolarHBondContact O-N 2.97Å; H396-E399 IonicContact ND1-OE1 2.7Å; H396-E399 PolarHBondContact ND1-OE1 3.27Å; H396-E399 PolarHBondContact O-N 2.93Å; I397-E399 VanDerWaalsContact C-N 3.32Å; I397-E399 PolarHBondContact O-N 2.83Å
400V92.7Very high81.8Confident0 Ų040.9 Ų40.90%024%0.24CC..Hα-helixtrans-73.9-44.4175.8177.70000109.8V284 T287 F333 T336 L337 H396 I397 H398 G402 L403V284-V400 HydrophobicContact CB-CG2 4.36Å; V284-V400 HydrophobicContact CG1-CG2 4.03Å; V284-V400 HydrophobicContact CG2-CG2 3.99Å; T287-V400 HydrophobicContact CG2-CG1 4.44Å; F333-V400 HydrophobicContact CD2-CG1 3.74Å; F333-V400 HydrophobicContact CE2-CG1 3.75Å; F333-V400 WeakPolarHBondContact CE2-O 3.46Å; T336-V400 HydrophobicContact CG2-CG2 3.75Å; L337-V400 HydrophobicContact CB-CG1 4.32Å; H396-V400 WeakPolarHBondContact O-CG2 3.16Å; H396-V400 PolarHBondContact O-N 2.64Å; I397-V400 PolarHBondContact O-N 3.2Å; I397-V400 VanDerWaalsContact O-N 3.14Å; H398-V400 VanDerWaalsContact C-N 3.32Å; H398-V400 PolarHBondContact O-N 3.45Å; V400-G402 VanDerWaalsContact C-N 3.27Å; V400-G402 PolarHBondContact O-N 3.18Å; V400-L403 VanDerWaalsContact O-CB 3.25Å; V400-L403 WeakPolarHBondContact O-CB 3.43Å; V400-L403 WeakPolarHBondContact O-CG 3.28Å; V400-L403 PolarHBondContact O-N 2.88Å
401W90.7Very high82.2Confident4 Ų440.9 Ų40.92%0.01524%0.237CC..Hα-helixtrans-56-41177.9-163.6-87.3000112.1L337 I397 H398 L403 R404 Y406 E441 I444 R445 L448L337-W401 HydrophobicContact CD1-CE3 3.7Å; L337-W401 HydrophobicContact CD1-CZ3 4.05Å; L337-W401 HydrophobicContact CD2-CE3 4.17Å; L337-W401 HydrophobicContact CD2-CZ3 4.05Å; I397-W401 WeakPolarHBondContact O-CB 3.34Å; I397-W401 PolarHBondContact O-N 3.36Å; H398-W401 PolarHBondContact O-N 3.07Å; W401-L403 PolarHBondContact O-N 3.34Å; W401-R404 WeakPolarHBondContact O-CB 3.44Å; W401-R404 PolarHBondContact O-N 2.72Å; W401-Y406 AromaticContact CD1-CE2 3.79Å; W401-Y406 AromaticContact CE2-CE2 3.85Å; W401-Y406 AromaticContact CE2-CZ 3.78Å; W401-Y406 HydrophobicContact CZ2-CE2 4.32Å; W401-Y406 AromaticContact CZ2-CZ 3.76Å; W401-Y406 WeakPolarHBondContact CZ2-OH 3.2Å; W401-Y406 AromaticContact NE1-CE2 3.18Å; W401-Y406 AromaticContact NE1-CZ 3.54Å; W401-Y406 PolarHBondContact NE1-OH 3.29Å; W401-E441 HydrophobicContact CH2-CB 3.98Å; W401-E441 HydrophobicContact CH2-CG 4.33Å; W401-E441 WeakPolarHBondContact CH2-O 3.37Å; W401-E441 HydrophobicContact CZ3-CB 4.5Å; W401-E441 HydrophobicContact CZ3-CG 4.44Å; W401-I444 HydrophobicContact CE3-CG2 4.06Å; W401-I444 HydrophobicContact CZ3-CB 4.34Å; W401-I444 HydrophobicContact CZ3-CG2 3.86Å; W401-R445 HydrophobicContact CH2-CB 4.13Å; W401-R445 HydrophobicContact CZ2-CB 3.66Å; W401-R445 HydrophobicContact CZ2-CG 3.99Å; W401-L448 HydrophobicContact CB-CD1 4.05Å; W401-L448 HydrophobicContact CD2-CD1 3.77Å; W401-L448 HydrophobicContact CE3-CD1 4.35Å; W401-L448 HydrophobicContact CG-CD1 3.61Å
402G89.1Confident82.6Confident54 Ų5441.8 Ų41.856%0.55724%0.244SC*.THydrogen-bonded Turntrans-66.7-0.8177.400000115.2H398 V400H398-G402 PolarHBondContact O-N 3.05Å; V400-G402 VanDerWaalsContact C-N 3.27Å; V400-G402 PolarHBondContact O-N 3.18Å
403L89.3Confident82.9Confident26 Ų2639.4 Ų39.414%0.13623%0.232CC..THydrogen-bonded Turntrans-74.9-15.5166.1-63.4172.7000112.4T287 R288 F291 F333 V400 W401T287-L403 HydrophobicContact CG2-CD1 3.97Å; R288-L403 HydrophobicContact CG-CD2 4.45Å; F291-L403 HydrophobicContact CB-CD1 4.28Å; F291-L403 HydrophobicContact CB-CD2 4.19Å; F291-L403 HydrophobicContact CD1-CB 4.39Å; F291-L403 HydrophobicContact CD2-CD1 4.1Å; F291-L403 HydrophobicContact CG-CD1 4.02Å; F291-L403 HydrophobicContact CG-CD2 4.43Å; F333-L403 HydrophobicContact CD2-CB 4.36Å; F333-L403 HydrophobicContact CD2-CD1 4.04Å; F333-L403 HydrophobicContact CE2-CB 4.27Å; V400-L403 VanDerWaalsContact O-CB 3.25Å; V400-L403 WeakPolarHBondContact O-CB 3.43Å; V400-L403 WeakPolarHBondContact O-CG 3.28Å; V400-L403 PolarHBondContact O-N 2.88Å; W401-L403 PolarHBondContact O-N 3.34Å
404R87.4Confident82.6Confident9 Ų941 Ų413%0.03425%0.25CS..SBendtrans-93.7136.1171.1-63.9179.2-178.3171.67110.8F333 W334 W401 Y406 Y411 S412 F413 E441F333-R404 VanDerWaalsContact CE1-NH2 3.31Å; F333-R404 HydrophobicContact CE2-CG 4.36Å; F333-R404 HydrophobicContact CZ-CG 4.03Å; W334-R404 VanDerWaalsContact CZ2-NH2 3.31Å; W401-R404 WeakPolarHBondContact O-CB 3.44Å; W401-R404 PolarHBondContact O-N 2.72Å; R404-Y406 HydrophobicContact CB-CD2 4.13Å; R404-Y406 HydrophobicContact CB-CE2 3.64Å; R404-Y406 WeakPolarHBondContact CD-OH 3.48Å; R404-Y406 PolarHBondContact NH1-OH 2.69Å; R404-Y411 HydrophobicContact CB-CD2 4.29Å; R404-Y411 HydrophobicContact CB-CG 4.47Å; R404-Y411 HydrophobicContact CG-CD2 3.82Å; R404-Y411 HydrophobicContact CG-CE2 4.32Å; R404-Y411 HydrophobicContact CG-CG 4.29Å; R404-S412 CarbonylContact C-O 3.57Å; R404-S412 WeakPolarHBondContact CA-O 3.4Å; R404-F413 HydrophobicContact CG-CD1 4.06Å; R404-F413 HydrophobicContact CG-CE1 3.66Å; R404-F413 HydrophobicContact CG-CZ 4.3Å; R404-E441 IonicContact CZ-OE1 2.96Å; R404-E441 IonicContact NH1-OE1 2.62Å; R404-E441 PolarHBondContact NH1-OE1 3.14Å; R404-E441 IonicContact NH2-OE1 2.63Å; R404-E441 PolarHBondContact NH2-OE1 2.85Å
405E80.3Confident82.4Confident116 Ų11641.4 Ų41.454%0.54225%0.253SS..EExtended strand (participates in β ladder)trans-98.1115.2168.8-66.2176.7-162.400108.3Y411 S412E405-Y411 CarbonylContact O-C 3.6Å; E405-Y411 WeakPolarHBondContact O-CA 3.34Å; E405-S412 PolarHBondContact N-O 3.36Å; E405-S412 PolarHBondContact O-N 3.44Å
406Y74.9Confident82Confident46 Ų4646.2 Ų46.218%0.1827%0.274CS..EExtended strand (participates in β ladder)trans-90.2136.3-175.5-83.1-87.4000112.1W401 R404 Y411 E437W401-Y406 AromaticContact CD1-CE2 3.79Å; W401-Y406 AromaticContact CE2-CE2 3.85Å; W401-Y406 AromaticContact CE2-CZ 3.78Å; W401-Y406 HydrophobicContact CZ2-CE2 4.32Å; W401-Y406 AromaticContact CZ2-CZ 3.76Å; W401-Y406 WeakPolarHBondContact CZ2-OH 3.2Å; W401-Y406 AromaticContact NE1-CE2 3.18Å; W401-Y406 AromaticContact NE1-CZ 3.54Å; W401-Y406 PolarHBondContact NE1-OH 3.29Å; R404-Y406 HydrophobicContact CB-CD2 4.13Å; R404-Y406 HydrophobicContact CB-CE2 3.64Å; R404-Y406 WeakPolarHBondContact CD-OH 3.48Å; R404-Y406 PolarHBondContact NH1-OH 2.69Å; Y406-Y411 HydrophobicContact CE1-CD1 4.29Å; Y406-Y411 HydrophobicContact CE1-CG 4.42Å; Y406-E437 WeakPolarHBondContact CE1-OE1 3.31Å; Y406-E437 VanDerWaalsContact CZ-OE1 3.32Å; Y406-E437 PolarHBondContact OH-OE1 3.07Å
407T67.3Low81.5Confident71 Ų7147 Ų4744%0.43628%0.278SS..  trans-108.8177.3161.973.10000109.3A409 S410T407-A409 PolarHBondContact O-N 3.27Å; T407-S410 WeakPolarHBondContact CA-O 3.44Å; T407-S410 PolarHBondContact N-O 3.12Å; T407-S410 PolarHBondContact OG1-N 3.02Å; T407-S410 VanDerWaalsContact OG1-N 3.16Å; T407-S410 PolarHBondContact OG1-O 2.82Å; T407-S410 PolarHBondContact OG1-OG 3.14Å; T407-S410 VanDerWaalsContact OG1-OG 3.11Å
408S60.3Low81.1Confident106 Ų10647 Ų4774%0.74128%0.278SS*.SBendtrans-62.3-23.6-17955.40000114.4
409A61.6Low80.8Confident62 Ų6247.1 Ų47.151%0.51228%0.28SS..SBendtrans-125.7-17.5-173.600000114.4T407T407-A409 PolarHBondContact O-N 3.27Å
410S72.2Confident80.2Confident50 Ų5047.9 Ų47.935%0.3529%0.293SS..  trans-150.9171.4-175.863.30000111.5T407T407-S410 WeakPolarHBondContact CA-O 3.44Å; T407-S410 PolarHBondContact N-O 3.12Å; T407-S410 PolarHBondContact OG1-N 3.02Å; T407-S410 VanDerWaalsContact OG1-N 3.16Å; T407-S410 PolarHBondContact OG1-O 2.82Å; T407-S410 PolarHBondContact OG1-OG 3.14Å; T407-S410 VanDerWaalsContact OG1-OG 3.11Å
411Y81.9Confident79.6Confident15 Ų1548.6 Ų48.66%0.05930%0.297CS..EExtended strand (participates in β ladder)trans-117.3160.716768.3-97.6000111.4W334 R404 E405 Y406 F413 D422 Q436W334-Y411 WeakPolarHBondContact CZ2-OH 3.43Å; R404-Y411 HydrophobicContact CB-CD2 4.29Å; R404-Y411 HydrophobicContact CB-CG 4.47Å; R404-Y411 HydrophobicContact CG-CD2 3.82Å; R404-Y411 HydrophobicContact CG-CE2 4.32Å; R404-Y411 HydrophobicContact CG-CG 4.29Å; E405-Y411 CarbonylContact O-C 3.6Å; E405-Y411 WeakPolarHBondContact O-CA 3.34Å; Y406-Y411 HydrophobicContact CE1-CD1 4.29Å; Y406-Y411 HydrophobicContact CE1-CG 4.42Å; Y411-F413 HydrophobicContact CD2-CE2 4.47Å; Y411-F413 HydrophobicContact CE2-CD2 4.45Å; Y411-F413 AromaticContact CE2-CE2 3.77Å; Y411-F413 HydrophobicContact CE2-CE2 3.77Å; Y411-F413 AromaticContact CE2-CZ 3.89Å; Y411-F413 HydrophobicContact CE2-CZ 3.89Å; Y411-D422 PolarHBondContact OH-OD2 3.1Å; Y411-Q436 HydrophobicContact CD1-CB 4.33Å; Y411-Q436 HydrophobicContact CE1-CB 3.93Å; Y411-Q436 VanDerWaalsContact N-OE1 3.11Å
412S83Confident79Confident32 Ų3249.2 Ų49.222%0.22430%0.3CS..EExtended strand (participates in β ladder)trans-133.8152.8170.9164.70000108.6R404 E405 G414 D419R404-S412 CarbonylContact C-O 3.57Å; R404-S412 WeakPolarHBondContact CA-O 3.4Å; E405-S412 PolarHBondContact N-O 3.36Å; E405-S412 PolarHBondContact O-N 3.44Å; S412-G414 PolarHBondContact OG-N 3.35Å; S412-D419 WeakPolarHBondContact CA-OD1 3.45Å; S412-D419 WeakPolarHBondContact CB-OD2 3.26Å; S412-D419 VanDerWaalsContact OG-CG 3.3Å; S412-D419 PolarHBondContact OG-OD1 3.04Å; S412-D419 PolarHBondContact OG-OD2 2.92Å
413F86.4Confident78.5Confident0 Ų050.3 Ų50.30%029%0.293CS..  trans-85.56.1169.5-68.2-70.9000112.8F291 K295 L330 F333 R404 Y411 S415 I418 D419 D422F291-F413 HydrophobicContact CD1-CD1 4.47Å; F291-F413 HydrophobicContact CE1-CB 3.94Å; F291-F413 AromaticContact CE1-CD1 3.3Å; F291-F413 HydrophobicContact CE1-CD1 3.3Å; F291-F413 AromaticContact CE1-CE1 3.94Å; F291-F413 HydrophobicContact CE1-CE1 3.94Å; F291-F413 AromaticContact CE1-CG 3.76Å; F291-F413 HydrophobicContact CE1-CG 3.76Å; F291-F413 AromaticContact CZ-CD1 3.53Å; F291-F413 HydrophobicContact CZ-CD1 3.53Å; F291-F413 AromaticContact CZ-CE1 3.68Å; F291-F413 HydrophobicContact CZ-CE1 3.68Å; F291-F413 HydrophobicContact CZ-CG 4.11Å; F291-F413 HydrophobicContact CZ-CZ 4.38Å; K295-F413 WeakPolarHBondContact CE-O 3.33Å; K295-F413 PolarHBondContact NZ-O 2.85Å; L330-F413 HydrophobicContact CD2-CD2 4.08Å; L330-F413 HydrophobicContact CD2-CE2 3.65Å; L330-F413 HydrophobicContact CD2-CZ 3.99Å; F333-F413 HydrophobicContact CD1-CE1 4.09Å; F333-F413 HydrophobicContact CD1-CZ 4.06Å; F333-F413 HydrophobicContact CD2-CE1 4.14Å; F333-F413 AromaticContact CE1-CE1 3.98Å; F333-F413 HydrophobicContact CE1-CE1 3.98Å; F333-F413 AromaticContact CE1-CZ 3.97Å; F333-F413 HydrophobicContact CE1-CZ 3.97Å; F333-F413 AromaticContact CE2-CE1 3.99Å; F333-F413 HydrophobicContact CE2-CE1 3.99Å; F333-F413 HydrophobicContact CG-CE1 4.22Å; F333-F413 AromaticContact CZ-CE1 3.96Å; F333-F413 HydrophobicContact CZ-CE1 3.96Å; F333-F413 HydrophobicContact CZ-CZ 4.35Å; R404-F413 HydrophobicContact CG-CD1 4.06Å; R404-F413 HydrophobicContact CG-CE1 3.66Å; R404-F413 HydrophobicContact CG-CZ 4.3Å; Y411-F413 HydrophobicContact CD2-CE2 4.47Å; Y411-F413 HydrophobicContact CE2-CD2 4.45Å; Y411-F413 AromaticContact CE2-CE2 3.77Å; Y411-F413 HydrophobicContact CE2-CE2 3.77Å; Y411-F413 AromaticContact CE2-CZ 3.89Å; Y411-F413 HydrophobicContact CE2-CZ 3.89Å; F413-S415 VanDerWaalsContact C-N 3.33Å; F413-I418 HydrophobicContact CB-CB 4.2Å; F413-I418 HydrophobicContact CB-CG2 3.68Å; F413-I418 HydrophobicContact CD2-CG2 3.82Å; F413-I418 HydrophobicContact CG-CG2 3.89Å; F413-D419 PolarHBondContact N-OD1 3.08Å; F413-D422 HydrophobicContact CE2-CB 4.08Å; F413-D422 WeakPolarHBondContact CE2-OD2 3.47Å
414G80.8Confident78.2Confident42 Ų4249.1 Ų49.143%0.43329%0.287SS..SBendtrans78.711.2179.600000114.2S412S412-G414 PolarHBondContact OG-N 3.35Å
415S80.2Confident77.9Confident8 Ų850.5 Ų50.56%0.05629%0.294CS..  trans-142.6123.2173.4158.10000108.8F413 E417 I418 D419F413-S415 VanDerWaalsContact C-N 3.33Å; S415-E417 PolarHBondContact O-N 3.31Å; S415-E417 PolarHBondContact OG-N 2.96Å; S415-E417 PolarHBondContact OG-OE2 2.9Å; S415-I418 PolarHBondContact O-N 3.49Å; S415-I418 PolarHBondContact OG-N 2.94Å; S415-D419 PolarHBondContact O-N 3.31Å
416K78.9Confident78Confident177 Ų17745 Ų4577%0.7727%0.268SS*.Hα-helixtrans-56.7-35.2-179.4-69.3-173.8177-174.30111.9S420K416-S420 VanDerWaalsContact O-CB 3.27Å; K416-S420 WeakPolarHBondContact O-CB 3.28Å; K416-S420 PolarHBondContact O-N 3.3Å; K416-S420 PolarHBondContact O-OG 2.76Å
417E79.4Confident78.1Confident49 Ų4945 Ų4523%0.22927%0.27CS..Hα-helixtrans-63.5-47.1176.9-64.376.9-163.900111.7C298 L318 S415 S420 L421C298-E417 HydrophobicContact CB-CB 4.32Å; C298-E417 HydrophobicContact CB-CG 4.21Å; L318-E417 HydrophobicContact CD1-CB 3.79Å; L318-E417 HydrophobicContact CD1-CG 3.94Å; L318-E417 HydrophobicContact CD2-CB 4.09Å; L318-E417 HydrophobicContact CD2-CG 4.25Å; L318-E417 HydrophobicContact CG-CB 4.31Å; L318-E417 HydrophobicContact CG-CG 4.19Å; S415-E417 PolarHBondContact O-N 3.31Å; S415-E417 PolarHBondContact OG-N 2.96Å; S415-E417 PolarHBondContact OG-OE2 2.9Å; E417-S420 PolarHBondContact O-OG 3.45Å; E417-L421 PolarHBondContact O-N 3.44Å
418I84.4Confident78.1Confident0 Ų043.8 Ų43.80%027%0.267CS..Hα-helixtrans-66.5-45.8178.2-58.2179.9000109.9F291 A294 K295 V326 L330 F413 S415 S420 L421 D422F291-I418 HydrophobicContact CE1-CG2 4.3Å; F291-I418 HydrophobicContact CZ-CG2 4.49Å; A294-I418 HydrophobicContact CB-CD1 4.13Å; K295-I418 HydrophobicContact CG-CD1 3.81Å; V326-I418 HydrophobicContact CG1-CB 4.24Å; V326-I418 HydrophobicContact CG1-CG1 3.94Å; V326-I418 HydrophobicContact CG1-CG2 4.3Å; V326-I418 HydrophobicContact CG2-CG1 4.21Å; L330-I418 HydrophobicContact CD1-CG2 4.42Å; L330-I418 HydrophobicContact CD2-CG2 3.82Å; L330-I418 HydrophobicContact CG-CG2 4.18Å; F413-I418 HydrophobicContact CB-CB 4.2Å; F413-I418 HydrophobicContact CB-CG2 3.68Å; F413-I418 HydrophobicContact CD2-CG2 3.82Å; F413-I418 HydrophobicContact CG-CG2 3.89Å; S415-I418 PolarHBondContact O-N 3.49Å; S415-I418 PolarHBondContact OG-N 2.94Å; I418-S420 VanDerWaalsContact C-N 3.31Å; I418-S420 PolarHBondContact O-N 2.9Å; I418-L421 PolarHBondContact O-N 3.4Å; I418-D422 PolarHBondContact O-N 3.03Å
419D83.1Confident77.8Confident55 Ų5543.7 Ų43.729%0.29426%0.258SS..Hα-helixtrans-59.8-41.5179.5-64-28.5000112.1S412 F413 S415 L421 D422S412-D419 WeakPolarHBondContact CA-OD1 3.45Å; S412-D419 WeakPolarHBondContact CB-OD2 3.26Å; S412-D419 VanDerWaalsContact OG-CG 3.3Å; S412-D419 PolarHBondContact OG-OD1 3.04Å; S412-D419 PolarHBondContact OG-OD2 2.92Å; F413-D419 PolarHBondContact N-OD1 3.08Å; S415-D419 PolarHBondContact O-N 3.31Å; D419-L421 PolarHBondContact O-N 2.96Å; D419-D422 PolarHBondContact O-N 2.9Å
420S79.5Confident77.1Confident83 Ų8346.3 Ų46.358%0.5826%0.263SS*.THydrogen-bonded Turntrans-66.1-16.2178.170.20000114K416 E417 I418K416-S420 VanDerWaalsContact O-CB 3.27Å; K416-S420 WeakPolarHBondContact O-CB 3.28Å; K416-S420 PolarHBondContact O-N 3.3Å; K416-S420 PolarHBondContact O-OG 2.76Å; E417-S420 PolarHBondContact O-OG 3.45Å; I418-S420 VanDerWaalsContact C-N 3.31Å; I418-S420 PolarHBondContact O-N 2.9Å
421L81.4Confident75.5Confident16 Ų1649.9 Ų49.98%0.08429%0.288CS..THydrogen-bonded Turntrans-106.70.3-177.5-152.372.3000113.5Y213 H323 V326 F327 L330 E417 I418 D419 N423Y213-L421 VanDerWaalsContact OH-CD1 3.24Å; Y213-L421 WeakPolarHBondContact OH-CD1 3.31Å; H323-L421 WeakPolarHBondContact NE2-CD1 3.41Å; V326-L421 HydrophobicContact CB-CD2 4.12Å; V326-L421 HydrophobicContact CG1-CB 4.19Å; V326-L421 HydrophobicContact CG1-CD2 3.68Å; F327-L421 HydrophobicContact CB-CD2 4.06Å; L330-L421 HydrophobicContact CD1-CB 3.98Å; L330-L421 HydrophobicContact CD1-CG 4.45Å; L330-L421 WeakPolarHBondContact CD1-O 3.29Å; E417-L421 PolarHBondContact O-N 3.44Å; I418-L421 PolarHBondContact O-N 3.4Å; D419-L421 PolarHBondContact O-N 2.96Å; L421-N423 PolarHBondContact O-N 2.99Å
422D78.2Confident73.5Confident16 Ų1651.9 Ų51.99%0.08631%0.305CS..  trans-73.851-178.8-167.126.9000113.6L330 W334 Y411 F413 I418 D419 I424 H425L330-D422 HydrophobicContact CD2-CB 4.22Å; W334-D422 PolarHBondContact NE1-OD1 2.99Å; Y411-D422 PolarHBondContact OH-OD2 3.1Å; F413-D422 HydrophobicContact CE2-CB 4.08Å; F413-D422 WeakPolarHBondContact CE2-OD2 3.47Å; I418-D422 PolarHBondContact O-N 3.03Å; D419-D422 PolarHBondContact O-N 2.9Å; D422-I424 PolarHBondContact O-N 3.06Å; D422-H425 PolarHBondContact O-ND1 3.39Å
423N78.9Confident71.5Confident78 Ų7858.2 Ų58.242%0.41733%0.331SS..THydrogen-bonded Turntrans-77.41177.2-61.8-34.7000112.8V217 N221 L421V217-N423 HydrophobicContact CG1-CB 3.68Å; N221-N423 PolarHBondContact ND2-O 2.84Å; L421-N423 PolarHBondContact O-N 2.99Å
424I81.2Confident69.5Low0 Ų061.3 Ų61.30%035%0.345CS..THydrogen-bonded Turntrans-103.6-9.9-170.7-50.3172.7000111.9I220 F327 L330 C331 D422I220-I424 HydrophobicContact CB-CG2 3.83Å; I220-I424 HydrophobicContact CG2-CG2 3.26Å; F327-I424 HydrophobicContact CD2-CD1 3.67Å; F327-I424 HydrophobicContact CE2-CD1 3.16Å; F327-I424 HydrophobicContact CE2-CG1 3.88Å; F327-I424 HydrophobicContact CZ-CD1 3.68Å; L330-I424 HydrophobicContact CB-CD1 4.33Å; C331-I424 WeakPolarHBondContact SG-CD1 3.39Å; D422-I424 PolarHBondContact O-N 3.06Å
425H82.8Confident68.2Low39 Ų3964.4 Ų64.418%0.18135%0.351CS..SBendtrans-52.4144.6177.472-31.6000113N221 W334 D422 H427N221-H425 PolarHBondContact ND2-O 2.78Å; N221-H425 VanDerWaalsContact ND2-O 3.09Å; W334-H425 HydrophobicContact CH2-CB 3.7Å; W334-H425 VanDerWaalsContact CZ2-CA 3.46Å; W334-H425 HydrophobicContact CZ2-CB 3.22Å; D422-H425 PolarHBondContact O-ND1 3.39Å; H425-H427 AromaticContact CE1-CE1 3.61Å; H425-H427 AromaticContact CE1-NE2 3.64Å; H425-H427 AromaticContact ND1-NE2 3.92Å; H425-H427 PolarHBondContact O-CD2 3.16Å
426P82.6Confident67.4Low1 Ų167.1 Ų67.11%0.00636%0.363CS..PPolyproline II helixtrans-67.7139.3174.628.6-28.2000109.7V224 T225 T228 W334 T438V224-P426 HydrophobicContact CG1-CB 3.82Å; V224-P426 HydrophobicContact CG1-CG 3.98Å; T225-P426 WeakPolarHBondContact OG1-CA 3.35Å; T228-P426 HydrophobicContact CG2-CB 4.35Å; T228-P426 HydrophobicContact CG2-CG 4.42Å; T228-P426 VanDerWaalsContact OG1-CB 3.3Å; T228-P426 WeakPolarHBondContact OG1-CB 2.98Å; W334-P426 HydrophobicContact CE3-CG 4.18Å; W334-P426 HydrophobicContact CH2-CG 4.01Å; W334-P426 HydrophobicContact CZ3-CG 3.58Å; P426-T438 HydrophobicContact CB-CG2 3.72Å; P426-T438 HydrophobicContact CG-CG2 3.91Å; P426-T438 WeakPolarHBondContact O-CG2 3.44Å
427H76.1Confident67.1Low44 Ų4459.2 Ų59.220%0.20433%0.329CS..PPolyproline II helixtrans-89.9140.8-177-74.1-102.5000112V182 N221 T225 H425 T438V182-H427 HydrophobicContact CB-CB 4.49Å; V182-H427 HydrophobicContact CG2-CB 3.7Å; V182-H427 VanDerWaalsContact CG2-CD2 3.47Å; V182-H427 WeakPolarHBondContact CG2-CD2 3.45Å; V182-H427 VanDerWaalsContact CG2-CG 3.45Å; N221-H427 PolarHBondContact ND2-CD2 3.33Å; N221-H427 VanDerWaalsContact ND2-CD2 3.34Å; N221-H427 PolarHBondContact ND2-NE2 2.91Å; N221-H427 PolarHBondContact OD1-CD2 3.28Å; T225-H427 HydrophobicContact CG2-CB 4.36Å; T225-H427 PolarHBondContact OG1-N 3.09Å; H425-H427 AromaticContact CE1-CE1 3.61Å; H425-H427 AromaticContact CE1-NE2 3.64Å; H425-H427 AromaticContact ND1-NE2 3.92Å; H425-H427 PolarHBondContact O-CD2 3.16Å; H427-T438 WeakPolarHBondContact O-CG2 3.46Å
428A66.6Low67Low46 Ų4657.2 Ų57.238%0.3832%0.32SS..PPolyproline II helixtrans-77.2130.317100000109.9N430A428-N430 PolarHBondContact O-N 3.27Å
429N55.5Low66.5Low104 Ų10460.4 Ų60.456%0.55634%0.337SS*.SBendtrans-65.2-18.3176.3-80.117.1000113.4H229H229-N429 PolarHBondContact CE1-ND2 2.98Å
430N46Very low66.5Low117 Ų11757.9 Ų57.963%0.62632%0.323SS*.SBendtrans-122127.5-172-64.1-15.1000110.1A428 S432A428-N430 PolarHBondContact O-N 3.27Å; N430-S432 PolarHBondContact O-N 2.93Å
431S38Very low66.8Low125 Ų12554 Ų5487%0.87430%0.296SS*.  trans-69.833.7179.2650000114.2
432S39.9Very low66.8Low57 Ų5754.7 Ų54.740%0.39930%0.298SS..  trans-78.1137.4-18065.10000110.4N430 F434 N435N430-S432 PolarHBondContact O-N 2.93Å; S432-F434 CarbonylContact O-C 3.55Å; S432-F434 PolarHBondContact O-N 3.39Å; S432-N435 PolarHBondContact O-OD1 2.97Å
433E42.5Very low66.8Low166 Ų16654 Ų5478%0.77630%0.295SS*.SBendtrans-44.6-1.7-169.5-64.7173.6145.900119.4
434F43Very low67.1Low65 Ų6550.3 Ų50.329%0.28528%0.275SS..SBendtrans-101.174.7170.2-71.3-92.8000108.5S432 Q436S432-F434 CarbonylContact O-C 3.55Å; S432-F434 PolarHBondContact O-N 3.39Å; F434-Q436 VanDerWaalsContact C-N 3.25Å; F434-Q436 PolarHBondContact O-N 2.88Å
435N54.7Low67.3Low107 Ų10751.1 Ų51.157%0.57228%0.278SS*.THydrogen-bonded Turntrans-69.110.9-154.5-79-10.3000118.1S432S432-N435 PolarHBondContact O-OD1 2.97Å
436Q63Low67.1Low64 Ų6449.3 Ų49.330%0.29927%0.27SS..THydrogen-bonded Turntrans-131.5-21.7-176.5-70.7-176.3-23.900115.9Y411 F434Y411-Q436 HydrophobicContact CD1-CB 4.33Å; Y411-Q436 HydrophobicContact CE1-CB 3.93Å; Y411-Q436 VanDerWaalsContact N-OE1 3.11Å; F434-Q436 VanDerWaalsContact C-N 3.25Å; F434-Q436 PolarHBondContact O-N 2.88Å
437E73.2Confident67Low12 Ų1249.3 Ų49.36%0.05627%0.269CS..  trans-101.1127.7-173.6-63.3-171.8138.100111.5Y406 E441 Q442 R445Y406-E437 WeakPolarHBondContact CE1-OE1 3.31Å; Y406-E437 VanDerWaalsContact CZ-OE1 3.32Å; Y406-E437 PolarHBondContact OH-OE1 3.07Å; E437-E441 HydrophobicContact CB-CB 4.05Å; E437-E441 HydrophobicContact CG-CB 4.49Å; E437-Q442 HydrophobicContact CB-CG 3.94Å; E437-Q442 PolarHBondContact O-NE2 3.38Å; E437-R445 IonicContact OE1-NH1 3.01Å; E437-R445 IonicContact OE2-CZ 2.78Å; E437-R445 IonicContact OE2-NH1 3.81Å; E437-R445 PolarHBondContact OE2-NH1 3.02Å
438T76.7Confident67.2Low6 Ų647.2 Ų47.24%0.03726%0.26CS..  trans-66.6160.3168.658.30000112.1P426 H427 F440 E441 Q442P426-T438 HydrophobicContact CB-CG2 3.72Å; P426-T438 HydrophobicContact CG-CG2 3.91Å; P426-T438 WeakPolarHBondContact O-CG2 3.44Å; H427-T438 WeakPolarHBondContact O-CG2 3.46Å; T438-F440 PolarHBondContact O-N 3.18Å; T438-E441 PolarHBondContact N-OE2 3.16Å; T438-E441 WeakPolarHBondContact O-CB 3.25Å; T438-E441 PolarHBondContact O-N 2.93Å; T438-E441 WeakPolarHBondContact OG1-CG 3.47Å; T438-E441 PolarHBondContact OG1-N 3.19Å; T438-E441 PolarHBondContact OG1-OE2 2.8Å; T438-Q442 VanDerWaalsContact O-CG 3.31Å; T438-Q442 WeakPolarHBondContact O-CG 3.47Å; T438-Q442 PolarHBondContact O-N 3.39Å
439L74.6Confident67.7Low68 Ų6845.1 Ų45.136%0.35624%0.242SC..Hα-helixtrans-54.8-36.4173.5179.662.2000111.8V230 Q442 I443 F466V230-L439 HydrophobicContact CB-CD2 4.19Å; V230-L439 HydrophobicContact CG1-CD2 4.04Å; L439-Q442 PolarHBondContact O-N 3.23Å; L439-I443 HydrophobicContact CD1-CD1 4.31Å; L439-I443 HydrophobicContact CD1-CG1 4.35Å; L439-I443 HydrophobicContact CG-CD1 3.98Å; L439-I443 HydrophobicContact CG-CG1 4.49Å; L439-I443 WeakPolarHBondContact O-CD1 3.42Å; L439-I443 VanDerWaalsContact O-CG1 3.23Å; L439-I443 WeakPolarHBondContact O-CG1 3.35Å; L439-I443 PolarHBondContact O-N 3.32Å; L439-F466 HydrophobicContact CD1-CE2 4.43Å; L439-F466 HydrophobicContact CD1-CZ 4.38Å
440F82.6Confident68.4Low2 Ų240.3 Ų40.31%0.00922%0.217CC..Hα-helixtrans-58.2-50.6173.2171.6-87.3000112.1T228 V230 T342 L345 F353 T438 Q442 I443 I444T228-F440 HydrophobicContact CG2-CD1 3.68Å; T228-F440 HydrophobicContact CG2-CE1 3.86Å; T228-F440 HydrophobicContact CG2-CG 4.05Å; T228-F440 HydrophobicContact CG2-CZ 4.34Å; T228-F440 WeakPolarHBondContact O-CB 3.2Å; V230-F440 HydrophobicContact CG2-CB 4.21Å; T342-F440 HydrophobicContact CG2-CE2 3.77Å; T342-F440 HydrophobicContact CG2-CZ 4.09Å; L345-F440 HydrophobicContact CD1-CD2 3.68Å; L345-F440 HydrophobicContact CD1-CE2 3.63Å; F353-F440 HydrophobicContact CZ-CD2 4.43Å; F353-F440 HydrophobicContact CZ-CE2 4.33Å; T438-F440 PolarHBondContact O-N 3.18Å; F440-Q442 VanDerWaalsContact C-N 3.34Å; F440-Q442 PolarHBondContact O-N 2.95Å; F440-I443 PolarHBondContact O-N 2.97Å; F440-I444 HydrophobicContact CE1-CG1 4.37Å; F440-I444 WeakPolarHBondContact O-CG1 3.32Å; F440-I444 PolarHBondContact O-N 3.48Å; F440-I444 VanDerWaalsContact O-N 3.08Å
441E85.3Confident69.6Low1 Ų134.9 Ų34.91%0.00519%0.188CC..Hα-helixtrans-61.9-42.1176.7-76.3171.6101.400111.9W334 W401 R404 E437 T438 I443 I444 R445W334-E441 WeakPolarHBondContact CH2-OE1 3.43Å; W334-E441 WeakPolarHBondContact CZ3-OE1 3.43Å; W401-E441 HydrophobicContact CH2-CB 3.98Å; W401-E441 HydrophobicContact CH2-CG 4.33Å; W401-E441 WeakPolarHBondContact CH2-O 3.37Å; W401-E441 HydrophobicContact CZ3-CB 4.5Å; W401-E441 HydrophobicContact CZ3-CG 4.44Å; R404-E441 IonicContact CZ-OE1 2.96Å; R404-E441 IonicContact NH1-OE1 2.62Å; R404-E441 PolarHBondContact NH1-OE1 3.14Å; R404-E441 IonicContact NH2-OE1 2.63Å; R404-E441 PolarHBondContact NH2-OE1 2.85Å; E437-E441 HydrophobicContact CB-CB 4.05Å; E437-E441 HydrophobicContact CG-CB 4.49Å; T438-E441 PolarHBondContact N-OE2 3.16Å; T438-E441 WeakPolarHBondContact O-CB 3.25Å; T438-E441 PolarHBondContact O-N 2.93Å; T438-E441 WeakPolarHBondContact OG1-CG 3.47Å; T438-E441 PolarHBondContact OG1-N 3.19Å; T438-E441 PolarHBondContact OG1-OE2 2.8Å; E441-I443 PolarHBondContact O-N 3.16Å; E441-I444 PolarHBondContact O-N 2.75Å; E441-R445 WeakPolarHBondContact O-CB 3.2Å; E441-R445 PolarHBondContact O-N 3.5Å
442Q81.4Confident71Confident31 Ų3129.6 Ų29.615%0.14515%0.153CC..Hα-helixtrans-62.1-42.2177.6-64.6170.44.700111.5E437 T438 L439 F440 I444 R445 F446 W462 F466E437-Q442 HydrophobicContact CB-CG 3.94Å; E437-Q442 PolarHBondContact O-NE2 3.38Å; T438-Q442 VanDerWaalsContact O-CG 3.31Å; T438-Q442 WeakPolarHBondContact O-CG 3.47Å; T438-Q442 PolarHBondContact O-N 3.39Å; L439-Q442 PolarHBondContact O-N 3.23Å; F440-Q442 VanDerWaalsContact C-N 3.34Å; F440-Q442 PolarHBondContact O-N 2.95Å; Q442-I444 PolarHBondContact O-N 3.43Å; Q442-R445 PolarHBondContact O-N 3.43Å; Q442-F446 VanDerWaalsContact O-CB 3.25Å; Q442-F446 WeakPolarHBondContact O-CB 3.46Å; Q442-F446 PolarHBondContact O-N 2.84Å; Q442-W462 HydrophobicContact CB-CH2 4.2Å; Q442-W462 HydrophobicContact CB-CZ2 4.17Å; Q442-W462 HydrophobicContact CG-CZ2 4.17Å; Q442-W462 WeakPolarHBondContact O-CH2 3.31Å; Q442-F466 HydrophobicContact CB-CD2 4.23Å; Q442-F466 HydrophobicContact CB-CE2 3.62Å; Q442-F466 HydrophobicContact CB-CZ 3.98Å; Q442-F466 HydrophobicContact CG-CE2 4.39Å
443I78.8Confident72.5Confident2 Ų229 Ų291%0.0115%0.145CC..Hα-helixtrans-61.8-44.6175-67.4161.8000110.6L345 I352 L439 F440 E441 F446 H447L345-I443 HydrophobicContact CD2-CG2 3.8Å; I352-I443 HydrophobicContact CD1-CD1 4.32Å; I352-I443 HydrophobicContact CD1-CG2 4.49Å; L439-I443 HydrophobicContact CD1-CD1 4.31Å; L439-I443 HydrophobicContact CD1-CG1 4.35Å; L439-I443 HydrophobicContact CG-CD1 3.98Å; L439-I443 HydrophobicContact CG-CG1 4.49Å; L439-I443 WeakPolarHBondContact O-CD1 3.42Å; L439-I443 VanDerWaalsContact O-CG1 3.23Å; L439-I443 WeakPolarHBondContact O-CG1 3.35Å; L439-I443 PolarHBondContact O-N 3.32Å; F440-I443 PolarHBondContact O-N 2.97Å; E441-I443 PolarHBondContact O-N 3.16Å; I443-F446 WeakPolarHBondContact O-CB 3.23Å; I443-F446 PolarHBondContact O-N 3.44Å; I443-H447 PolarHBondContact O-CD2 3.47Å; I443-H447 PolarHBondContact O-N 2.69Å
444I84.7Confident74Confident0 Ų022.5 Ų22.50%012%0.116CC..Hα-helixtrans-62.2-47.2177.1-67.4-63.5000111.2Y344 L345 I397 W401 F440 E441 Q442 F446 H447 L448Y344-I444 HydrophobicContact CD1-CD1 3.74Å; Y344-I444 HydrophobicContact CE1-CD1 4.22Å; L345-I444 HydrophobicContact CD1-CD1 4Å; L345-I444 HydrophobicContact CD1-CG1 4.38Å; L345-I444 HydrophobicContact CD2-CD1 4.02Å; L345-I444 HydrophobicContact CG-CD1 3.81Å; I397-I444 HydrophobicContact CD1-CD1 4.5Å; I397-I444 HydrophobicContact CG2-CG2 3.59Å; W401-I444 HydrophobicContact CE3-CG2 4.06Å; W401-I444 HydrophobicContact CZ3-CB 4.34Å; W401-I444 HydrophobicContact CZ3-CG2 3.86Å; F440-I444 HydrophobicContact CE1-CG1 4.37Å; F440-I444 WeakPolarHBondContact O-CG1 3.32Å; F440-I444 PolarHBondContact O-N 3.48Å; F440-I444 VanDerWaalsContact O-N 3.08Å; E441-I444 PolarHBondContact O-N 2.75Å; Q442-I444 PolarHBondContact O-N 3.43Å; I444-F446 VanDerWaalsContact C-N 3.3Å; I444-F446 PolarHBondContact O-N 3.28Å; I444-H447 WeakPolarHBondContact O-CB 3.45Å; I444-H447 PolarHBondContact O-N 3.09Å; I444-H447 VanDerWaalsContact O-N 3.12Å; I444-L448 HydrophobicContact CG2-CD1 4.28Å; I444-L448 HydrophobicContact CG2-CG 4.48Å; I444-L448 WeakPolarHBondContact O-CG 3.43Å; I444-L448 PolarHBondContact O-N 3.06Å
445R84.9Confident75Confident16 Ų1622.3 Ų22.36%0.0612%0.118CC..Hα-helixtrans-59-42.8177.5-172.3176.7177.7178.23111.8W401 E437 E441 Q442 H447 L448 A449 E459 W462W401-R445 HydrophobicContact CH2-CB 4.13Å; W401-R445 HydrophobicContact CZ2-CB 3.66Å; W401-R445 HydrophobicContact CZ2-CG 3.99Å; E437-R445 IonicContact OE1-NH1 3.01Å; E437-R445 IonicContact OE2-CZ 2.78Å; E437-R445 IonicContact OE2-NH1 3.81Å; E437-R445 PolarHBondContact OE2-NH1 3.02Å; E441-R445 WeakPolarHBondContact O-CB 3.2Å; E441-R445 PolarHBondContact O-N 3.5Å; Q442-R445 PolarHBondContact O-N 3.43Å; R445-H447 VanDerWaalsContact C-N 3.33Å; R445-H447 PolarHBondContact O-N 3.3Å; R445-L448 WeakPolarHBondContact O-CB 3.28Å; R445-L448 PolarHBondContact O-N 3.37Å; R445-A449 PolarHBondContact O-N 3Å; R445-E459 IonicContact CZ-OE1 2.83Å; R445-E459 IonicContact CZ-OE2 3.86Å; R445-E459 IonicContact NE-OE1 3.92Å; R445-E459 PolarHBondContact NE-OE1 3.21Å; R445-E459 IonicContact NE-OE2 2.7Å; R445-E459 PolarHBondContact NE-OE2 2.94Å; R445-E459 IonicContact NH2-OE1 3.21Å; R445-E459 PolarHBondContact NH2-OE1 2.6Å; R445-E459 IonicContact NH2-OE2 3.85Å; R445-E459 PolarHBondContact NH2-OE2 3.08Å; R445-W462 HydrophobicContact CB-CH2 3.74Å; R445-W462 HydrophobicContact CB-CZ2 4.39Å; R445-W462 HydrophobicContact CB-CZ3 3.89Å; R445-W462 HydrophobicContact CG-CD2 4.49Å; R445-W462 HydrophobicContact CG-CE3 3.97Å; R445-W462 HydrophobicContact CG-CH2 3.83Å; R445-W462 HydrophobicContact CG-CZ2 4.3Å; R445-W462 HydrophobicContact CG-CZ3 3.63Å
446F79Confident75.7Confident2 Ų220.5 Ų20.51%0.00911%0.108CC..Hα-helixtrans-59.5-44.2174.7-179.6-116000112L368 Q442 I443 I444 L448 A449 L450 W462 A463 F466 I467 I495 L499L368-F446 HydrophobicContact CD2-CE1 4.04Å; Q442-F446 VanDerWaalsContact O-CB 3.25Å; Q442-F446 WeakPolarHBondContact O-CB 3.46Å; Q442-F446 PolarHBondContact O-N 2.84Å; I443-F446 WeakPolarHBondContact O-CB 3.23Å; I443-F446 PolarHBondContact O-N 3.44Å; I444-F446 VanDerWaalsContact C-N 3.3Å; I444-F446 PolarHBondContact O-N 3.28Å; F446-L448 PolarHBondContact O-N 3.21Å; F446-A449 PolarHBondContact O-N 2.93Å; F446-L450 HydrophobicContact CD1-CD1 3.88Å; F446-L450 HydrophobicContact CE1-CD1 3.39Å; F446-L450 HydrophobicContact CE1-CG 4.32Å; F446-L450 HydrophobicContact CE2-CD1 4.13Å; F446-L450 HydrophobicContact CE2-CD2 4.46Å; F446-L450 HydrophobicContact CE2-CG 4.23Å; F446-L450 HydrophobicContact CG-CD1 4.44Å; F446-L450 HydrophobicContact CZ-CD1 3.55Å; F446-L450 HydrophobicContact CZ-CD2 4.39Å; F446-L450 HydrophobicContact CZ-CG 4.13Å; F446-L450 WeakPolarHBondContact O-CG 3.21Å; F446-L450 PolarHBondContact O-N 2.66Å; F446-W462 HydrophobicContact CB-CH2 4.39Å; F446-W462 HydrophobicContact CB-CZ3 4.11Å; F446-A463 HydrophobicContact CD2-CB 3.91Å; F446-A463 HydrophobicContact CE2-CB 4.16Å; F446-F466 HydrophobicContact CB-CD1 4.03Å; F446-F466 HydrophobicContact CB-CE1 3.96Å; F446-F466 HydrophobicContact CD1-CE1 4.38Å; F446-F466 AromaticContact CD2-CD1 3.86Å; F446-F466 HydrophobicContact CD2-CD1 3.86Å; F446-F466 HydrophobicContact CD2-CE1 4.38Å; F446-F466 HydrophobicContact CE2-CD1 4.44Å; F446-F466 AromaticContact CG-CD1 3.94Å; F446-F466 HydrophobicContact CG-CD1 3.94Å; F446-F466 HydrophobicContact CG-CE1 4.01Å; F446-I467 HydrophobicContact CE2-CD1 3.6Å; F446-I467 HydrophobicContact CE2-CG1 3.6Å; F446-I467 HydrophobicContact CZ-CD1 3.63Å; F446-I467 HydrophobicContact CZ-CG1 3.74Å; F446-I495 HydrophobicContact CE2-CG2 4.43Å; F446-I495 HydrophobicContact CZ-CG2 3.75Å; F446-L499 HydrophobicContact CE2-CD1 3.85Å
447H79.9Confident75.9Confident0 Ų019.3 Ų19.30%011%0.107CC..Hα-helixtrans-64.2-38.1175.2-80.4-134.5000112.4Y344 H349 L368 P369 L394 I443 I444 R445 S451Y344-H447 HydrophobicContact CE1-CB 4.17Å; Y344-H447 AromaticContact CE1-ND1 3.35Å; Y344-H447 VanDerWaalsContact CE1-ND1 3.35Å; Y344-H447 WeakPolarHBondContact CE1-ND1 3.5Å; Y344-H447 AromaticContact CZ-ND1 3.49Å; Y344-H447 PolarHBondContact OH-ND1 3.45Å; H349-H447 AromaticContact CD2-CE1 3.29Å; H349-H447 PolarHBondContact CD2-CE1 2.68Å; H349-H447 AromaticContact CD2-NE2 3.61Å; H349-H447 AromaticContact NE2-CE1 2.95Å; H349-H447 PolarHBondContact NE2-CE1 2.84Å; H349-H447 AromaticContact NE2-NE2 2.99Å; H349-H447 PolarHBondContact NE2-NE2 3.16Å; L368-H447 WeakPolarHBondContact CD2-NE2 3.35Å; P369-H447 VanDerWaalsContact CD-ND1 3.33Å; P369-H447 WeakPolarHBondContact CD-ND1 3.31Å; P369-H447 HydrophobicContact CG-CB 3.67Å; P369-H447 WeakPolarHBondContact CG-O 3.5Å; L394-H447 HydrophobicContact CD1-CB 4.36Å; I443-H447 PolarHBondContact O-CD2 3.47Å; I443-H447 PolarHBondContact O-N 2.69Å; I444-H447 WeakPolarHBondContact O-CB 3.45Å; I444-H447 PolarHBondContact O-N 3.09Å; I444-H447 VanDerWaalsContact O-N 3.12Å; R445-H447 VanDerWaalsContact C-N 3.33Å; R445-H447 PolarHBondContact O-N 3.3Å; H447-S451 VanDerWaalsContact O-CB 3.24Å; H447-S451 WeakPolarHBondContact O-CB 3.38Å; H447-S451 PolarHBondContact O-N 3.32Å; H447-S451 PolarHBondContact O-OG 3.39Å
448L81.4Confident76Confident0 Ų024.8 Ų24.80%013%0.133CC..Hα-helixtrans-63.4-43.9174.5-70174.9000111.9L394 H398 W401 I444 R445 F446 S451 G452 L453 N454L394-L448 HydrophobicContact CD1-CD2 3.69Å; L394-L448 HydrophobicContact CD1-CG 4.27Å; L394-L448 HydrophobicContact CG-CD2 3.93Å; H398-L448 HydrophobicContact CB-CD2 3.71Å; W401-L448 HydrophobicContact CB-CD1 4.05Å; W401-L448 HydrophobicContact CD2-CD1 3.77Å; W401-L448 HydrophobicContact CE3-CD1 4.35Å; W401-L448 HydrophobicContact CG-CD1 3.61Å; I444-L448 HydrophobicContact CG2-CD1 4.28Å; I444-L448 HydrophobicContact CG2-CG 4.48Å; I444-L448 WeakPolarHBondContact O-CG 3.43Å; I444-L448 PolarHBondContact O-N 3.06Å; R445-L448 WeakPolarHBondContact O-CB 3.28Å; R445-L448 PolarHBondContact O-N 3.37Å; F446-L448 PolarHBondContact O-N 3.21Å; L448-S451 PolarHBondContact O-N 3.49Å; L448-S451 PolarHBondContact O-OG 3.42Å; L448-G452 PolarHBondContact O-N 3.22Å; L448-L453 HydrophobicContact CD2-CB 4.32Å; L448-L453 HydrophobicContact CD2-CD1 4.07Å; L448-L453 PolarHBondContact O-N 2.97Å; L448-N454 HydrophobicContact CB-CB 4.22Å; L448-N454 PolarHBondContact O-N 3.21Å
449A75.7Confident75.9Confident2 Ų224.8 Ų24.82%0.01713%0.132CC..Hα-helixtrans-61.8-49.2176.600000111.5R445 F446 S451 G452 A463R445-A449 PolarHBondContact O-N 3Å; F446-A449 PolarHBondContact O-N 2.93Å; A449-S451 VanDerWaalsContact C-N 3.3Å; A449-S451 PolarHBondContact O-N 2.82Å; A449-G452 PolarHBondContact O-N 3.45Å; A449-A463 HydrophobicContact CB-CB 4.13Å
450L71.3Confident75.7Confident4 Ų421.7 Ų21.72%0.02112%0.116CC..Hα-helixtrans-61.2-37.9177.4-71.4178.1000112.5L368 P369 I370 N371 F446 G452 I495 L499L368-L450 HydrophobicContact CB-CD1 4.16Å; L368-L450 HydrophobicContact CD1-CD1 4.36Å; L368-L450 HydrophobicContact CD2-CD1 4.17Å; L368-L450 HydrophobicContact CG-CD1 4.48Å; P369-L450 CarbonylContact O-C 3.46Å; P369-L450 WeakPolarHBondContact O-CB 3.23Å; I370-L450 CarbonylContact C-O 3.58Å; I370-L450 WeakPolarHBondContact CA-O 3.45Å; I370-L450 HydrophobicContact CD1-CD2 4.34Å; I370-L450 HydrophobicContact CG1-CB 4.2Å; I370-L450 HydrophobicContact CG1-CD1 4.14Å; I370-L450 HydrophobicContact CG1-CD2 4.1Å; I370-L450 HydrophobicContact CG1-CG 4.39Å; N371-L450 PolarHBondContact N-O 3.18Å; F446-L450 HydrophobicContact CD1-CD1 3.88Å; F446-L450 HydrophobicContact CE1-CD1 3.39Å; F446-L450 HydrophobicContact CE1-CG 4.32Å; F446-L450 HydrophobicContact CE2-CD1 4.13Å; F446-L450 HydrophobicContact CE2-CD2 4.46Å; F446-L450 HydrophobicContact CE2-CG 4.23Å; F446-L450 HydrophobicContact CG-CD1 4.44Å; F446-L450 HydrophobicContact CZ-CD1 3.55Å; F446-L450 HydrophobicContact CZ-CD2 4.39Å; F446-L450 HydrophobicContact CZ-CG 4.13Å; F446-L450 WeakPolarHBondContact O-CG 3.21Å; F446-L450 PolarHBondContact O-N 2.66Å; L450-G452 PolarHBondContact O-N 3.19Å; L450-I495 HydrophobicContact CD1-CG2 4.27Å; L450-I495 HydrophobicContact CD2-CG2 3.73Å; L450-L499 HydrophobicContact CD2-CD1 4.19Å; L450-L499 HydrophobicContact CD2-CD2 3.73Å; L450-L499 HydrophobicContact CD2-CG 4Å
451S70.7Confident75.2Confident2 Ų224.3 Ų24.31%0.01413%0.129CC..THydrogen-bonded Turntrans-74.4-8.5-177.271.50000114.2P369 N371 H447 L448 A449 L453P369-S451 WeakPolarHBondContact O-CA 3.47Å; P369-S451 PolarHBondContact O-N 2.68Å; N371-S451 WeakPolarHBondContact CB-O 3.4Å; N371-S451 PolarHBondContact ND2-O 3.4Å; N371-S451 VanDerWaalsContact ND2-O 3.08Å; H447-S451 VanDerWaalsContact O-CB 3.24Å; H447-S451 WeakPolarHBondContact O-CB 3.38Å; H447-S451 PolarHBondContact O-N 3.32Å; H447-S451 PolarHBondContact O-OG 3.39Å; L448-S451 PolarHBondContact O-N 3.49Å; L448-S451 PolarHBondContact O-OG 3.42Å; A449-S451 VanDerWaalsContact C-N 3.3Å; A449-S451 PolarHBondContact O-N 2.82Å; S451-L453 PolarHBondContact O-N 2.9Å; S451-L453 WeakPolarHBondContact OG-CB 3.22Å; S451-L453 WeakPolarHBondContact OG-CD1 3.42Å; S451-L453 WeakPolarHBondContact OG-CG 3.33Å; S451-L453 PolarHBondContact OG-N 3.42Å
452G67.2Low74.9Confident14 Ų1425.5 Ų25.514%0.14413%0.134CC..THydrogen-bonded Turntrans74.24.9-178.200000114.2I374 L448 A449 L450 N454I374-G452 VanDerWaalsContact CD1-N 3.32Å; L448-G452 PolarHBondContact O-N 3.22Å; A449-G452 PolarHBondContact O-N 3.45Å; L450-G452 PolarHBondContact O-N 3.19Å; G452-N454 VanDerWaalsContact C-N 3.27Å
453L72.3Confident74.6Confident46 Ų4624 Ų2424%0.24113%0.127CC..THydrogen-bonded Turntrans-67.5-33.1170.6-66.9172.7000110.7L394 K395 H398 L448 S451L394-L453 HydrophobicContact CB-CD1 4.35Å; L394-L453 HydrophobicContact CD2-CD1 4.08Å; L394-L453 HydrophobicContact CG-CD1 3.8Å; K395-L453 HydrophobicContact CG-CD1 4.29Å; K395-L453 HydrophobicContact CG-CD2 4.12Å; H398-L453 HydrophobicContact CB-CB 4.31Å; H398-L453 HydrophobicContact CB-CD1 4.1Å; H398-L453 PolarHBondContact CE1-O 2.99Å; H398-L453 PolarHBondContact NE2-O 3.2Å; H398-L453 VanDerWaalsContact NE2-O 3.1Å; L448-L453 HydrophobicContact CD2-CB 4.32Å; L448-L453 HydrophobicContact CD2-CD1 4.07Å; L448-L453 PolarHBondContact O-N 2.97Å; S451-L453 PolarHBondContact O-N 2.9Å; S451-L453 WeakPolarHBondContact OG-CB 3.22Å; S451-L453 WeakPolarHBondContact OG-CD1 3.42Å; S451-L453 WeakPolarHBondContact OG-CG 3.33Å; S451-L453 PolarHBondContact OG-N 3.42Å
454N73Confident74.3Confident29 Ų2924.3 Ų24.316%0.15513%0.129CC..THydrogen-bonded Turntrans-12872.9176.7-160.918.2000111.4L448 G452 E459L448-N454 HydrophobicContact CB-CB 4.22Å; L448-N454 PolarHBondContact O-N 3.21Å; G452-N454 VanDerWaalsContact C-N 3.27Å; N454-E459 VanDerWaalsContact ND2-CD 3.27Å; N454-E459 WeakPolarHBondContact ND2-CG 3.22Å; N454-E459 PolarHBondContact ND2-OE2 3.31Å; N454-E459 WeakPolarHBondContact O-CB 3.38Å
455N64.4Low73.7Confident61 Ų6127.7 Ų27.733%0.32615%0.147SC..  trans-104.330.7-17067.1-25.8000115.3I374 H506I374-N455 HydrophobicContact CD1-CB 4.39Å; I374-N455 HydrophobicContact CG2-CB 4Å; N455-H506 PolarHBondContact ND2-NE2 3.31Å
456N69.6Low73.2Confident68 Ų6827.6 Ų27.636%0.36415%0.147SC..  trans-70.5157171.374.650.1000110.6Q458 E459 I460N456-Q458 PolarHBondContact O-N 3.02Å; N456-Q458 WeakPolarHBondContact OD1-CA 3.05Å; N456-Q458 WeakPolarHBondContact OD1-CB 3.48Å; N456-Q458 PolarHBondContact OD1-N 2.66Å; N456-E459 WeakPolarHBondContact ND2-CG 3.41Å; N456-E459 PolarHBondContact O-N 2.93Å; N456-E459 VanDerWaalsContact O-N 3.16Å; N456-E459 WeakPolarHBondContact OD1-CG 3.42Å; N456-E459 PolarHBondContact OD1-N 3.12Å; N456-I460 PolarHBondContact O-N 3.47Å
457S68.2Low72.7Confident39 Ų3927.5 Ų27.527%0.27315%0.146SC..Hα-helixtrans-59.9-32.2-176.854.30000113I461S457-I461 WeakPolarHBondContact O-CD1 3.44Å; S457-I461 WeakPolarHBondContact O-CG1 3.37Å; S457-I461 PolarHBondContact O-N 2.83Å
458Q73.7Confident72Confident128 Ų12829.9 Ų29.960%0.59816%0.159SC*.Hα-helixtrans-67.4-39.5177.7-63.1-178.8-25.300112.4N456 I461 W462N456-Q458 PolarHBondContact O-N 3.02Å; N456-Q458 WeakPolarHBondContact OD1-CA 3.05Å; N456-Q458 WeakPolarHBondContact OD1-CB 3.48Å; N456-Q458 PolarHBondContact OD1-N 2.66Å; Q458-I461 PolarHBondContact O-N 3.08Å; Q458-W462 WeakPolarHBondContact O-CB 3.46Å; Q458-W462 PolarHBondContact O-N 2.94Å
459E75Confident71.3Confident6 Ų633.6 Ų33.63%0.02818%0.175CC..Hα-helixtrans-69.4-36.8178.3-70.7-65.2141.500111.9R445 N454 N456 W462 A463R445-E459 IonicContact CZ-OE1 2.83Å; R445-E459 IonicContact CZ-OE2 3.86Å; R445-E459 IonicContact NE-OE1 3.92Å; R445-E459 PolarHBondContact NE-OE1 3.21Å; R445-E459 IonicContact NE-OE2 2.7Å; R445-E459 PolarHBondContact NE-OE2 2.94Å; R445-E459 IonicContact NH2-OE1 3.21Å; R445-E459 PolarHBondContact NH2-OE1 2.6Å; R445-E459 IonicContact NH2-OE2 3.85Å; R445-E459 PolarHBondContact NH2-OE2 3.08Å; N454-E459 VanDerWaalsContact ND2-CD 3.27Å; N454-E459 WeakPolarHBondContact ND2-CG 3.22Å; N454-E459 PolarHBondContact ND2-OE2 3.31Å; N454-E459 WeakPolarHBondContact O-CB 3.38Å; N456-E459 WeakPolarHBondContact ND2-CG 3.41Å; N456-E459 PolarHBondContact O-N 2.93Å; N456-E459 VanDerWaalsContact O-N 3.16Å; N456-E459 WeakPolarHBondContact OD1-CG 3.42Å; N456-E459 PolarHBondContact OD1-N 3.12Å; E459-W462 PolarHBondContact O-N 3.05Å; E459-A463 WeakPolarHBondContact O-CB 3.39Å; E459-A463 PolarHBondContact O-N 3.34Å
460I70.9Confident70.7Confident2 Ų234.5 Ų34.51%0.0118%0.18CC..Hα-helixtrans-67.6-42.1174.7-59166.9000110.2N456 W462 A463 C464 L499 T502 L503N456-I460 PolarHBondContact O-N 3.47Å; I460-W462 VanDerWaalsContact C-N 3.33Å; I460-W462 PolarHBondContact O-N 3.49Å; I460-A463 PolarHBondContact O-N 3.26Å; I460-C464 PolarHBondContact O-N 2.71Å; I460-C464 PolarHBondContact O-SG 3.13Å; I460-C464 VanDerWaalsContact O-SG 3.37Å; I460-L499 HydrophobicContact CG2-CB 4.32Å; I460-L499 HydrophobicContact CG2-CD2 4.16Å; I460-L499 WeakPolarHBondContact CG2-O 3.47Å; I460-T502 HydrophobicContact CD1-CG2 3.98Å; I460-L503 HydrophobicContact CB-CD1 4.31Å; I460-L503 HydrophobicContact CG2-CB 3.7Å; I460-L503 HydrophobicContact CG2-CD1 4.36Å; I460-L503 HydrophobicContact CG2-CD2 4.09Å; I460-L503 HydrophobicContact CG2-CG 4.29Å
461I72.4Confident70.1Confident57 Ų5735.6 Ų35.629%0.29219%0.188SC..Hα-helixtrans-58.2-47.3173-69.8163.6000110.4S457 Q458 A463 C464 N465 L503S457-I461 WeakPolarHBondContact O-CD1 3.44Å; S457-I461 WeakPolarHBondContact O-CG1 3.37Å; S457-I461 PolarHBondContact O-N 2.83Å; Q458-I461 PolarHBondContact O-N 3.08Å; I461-A463 VanDerWaalsContact C-N 3.33Å; I461-A463 PolarHBondContact O-N 2.9Å; I461-C464 WeakPolarHBondContact O-CB 2.93Å; I461-C464 PolarHBondContact O-N 2.88Å; I461-N465 PolarHBondContact O-N 3.36Å; I461-N465 PolarHBondContact O-ND2 3.21Å; I461-L503 HydrophobicContact CB-CD2 4.33Å; I461-L503 HydrophobicContact CD1-CD2 4.39Å; I461-L503 HydrophobicContact CG1-CD1 4.19Å; I461-L503 HydrophobicContact CG1-CD2 3.35Å; I461-L503 HydrophobicContact CG1-CG 4.4Å
462W78.5Confident69.5Low27 Ų2740.3 Ų40.310%0.10221%0.213CC..Hα-helixtrans-59.3-44.6178.1175.991.6000111.3Q442 R445 F446 Q458 E459 I460 C464 N465 F466Q442-W462 HydrophobicContact CB-CH2 4.2Å; Q442-W462 HydrophobicContact CB-CZ2 4.17Å; Q442-W462 HydrophobicContact CG-CZ2 4.17Å; Q442-W462 WeakPolarHBondContact O-CH2 3.31Å; R445-W462 HydrophobicContact CB-CH2 3.74Å; R445-W462 HydrophobicContact CB-CZ2 4.39Å; R445-W462 HydrophobicContact CB-CZ3 3.89Å; R445-W462 HydrophobicContact CG-CD2 4.49Å; R445-W462 HydrophobicContact CG-CE3 3.97Å; R445-W462 HydrophobicContact CG-CH2 3.83Å; R445-W462 HydrophobicContact CG-CZ2 4.3Å; R445-W462 HydrophobicContact CG-CZ3 3.63Å; F446-W462 HydrophobicContact CB-CH2 4.39Å; F446-W462 HydrophobicContact CB-CZ3 4.11Å; Q458-W462 WeakPolarHBondContact O-CB 3.46Å; Q458-W462 PolarHBondContact O-N 2.94Å; E459-W462 PolarHBondContact O-N 3.05Å; I460-W462 VanDerWaalsContact C-N 3.33Å; I460-W462 PolarHBondContact O-N 3.49Å; W462-C464 PolarHBondContact O-N 2.83Å; W462-N465 PolarHBondContact O-N 3.01Å; W462-F466 HydrophobicContact CH2-CB 4.21Å; W462-F466 HydrophobicContact CH2-CD1 4.38Å; W462-F466 HydrophobicContact CH2-CD2 4.38Å; W462-F466 HydrophobicContact CH2-CG 4.07Å; W462-F466 HydrophobicContact CZ2-CB 4.37Å; W462-F466 HydrophobicContact CZ2-CD2 4.41Å; W462-F466 HydrophobicContact CZ2-CG 4.4Å; W462-F466 HydrophobicContact CZ3-CB 4.39Å; W462-F466 WeakPolarHBondContact O-CB 3.44Å; W462-F466 PolarHBondContact O-N 2.87Å
463A75.4Confident68.8Low0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-63-40.1178.300000112.4F446 A449 E459 I460 I461 F466 I467 L499F446-A463 HydrophobicContact CD2-CB 3.91Å; F446-A463 HydrophobicContact CE2-CB 4.16Å; A449-A463 HydrophobicContact CB-CB 4.13Å; E459-A463 WeakPolarHBondContact O-CB 3.39Å; E459-A463 PolarHBondContact O-N 3.34Å; I460-A463 PolarHBondContact O-N 3.26Å; I461-A463 VanDerWaalsContact C-N 3.33Å; I461-A463 PolarHBondContact O-N 2.9Å; A463-F466 PolarHBondContact O-N 3.32Å; A463-I467 WeakPolarHBondContact O-CG1 3.39Å; A463-I467 PolarHBondContact O-N 2.81Å; A463-I467 VanDerWaalsContact O-N 3.07Å; A463-L499 HydrophobicContact CB-CD1 3.71Å; A463-L499 HydrophobicContact CB-CD2 4.21Å
464C72.4Confident67.3Low7 Ų744.6 Ų44.65%0.04723%0.229CC..Hα-helixtrans-59.3-49.6172.1-70.20000111.6I460 I461 W462 F466 I467 N468 L499I460-C464 PolarHBondContact O-N 2.71Å; I460-C464 PolarHBondContact O-SG 3.13Å; I460-C464 VanDerWaalsContact O-SG 3.37Å; I461-C464 WeakPolarHBondContact O-CB 2.93Å; I461-C464 PolarHBondContact O-N 2.88Å; W462-C464 PolarHBondContact O-N 2.83Å; C464-F466 VanDerWaalsContact C-N 3.29Å; C464-F466 PolarHBondContact O-N 2.91Å; C464-I467 PolarHBondContact O-N 3.11Å; C464-N468 PolarHBondContact O-N 2.82Å; C464-L499 WeakPolarHBondContact SG-CB 3.05Å
465N72.9Confident65.7Low72 Ų7250.9 Ų50.939%0.38526%0.257SS..Hα-helixtrans-62.3-38.2179.5-70.7-22.4000112I461 W462 N468 K469I461-N465 PolarHBondContact O-N 3.36Å; I461-N465 PolarHBondContact O-ND2 3.21Å; W462-N465 PolarHBondContact O-N 3.01Å; N465-N468 PolarHBondContact O-N 2.9Å; N465-K469 WeakPolarHBondContact O-CB 3.35Å; N465-K469 VanDerWaalsContact O-CG 3.32Å; N465-K469 WeakPolarHBondContact O-CG 3.35Å; N465-K469 PolarHBondContact O-N 3.38Å
466F72.9Confident64.1Low13 Ų1352.6 Ų52.66%0.05727%0.272CS..Hα-helixtrans-61.9-44.8176177-112000111.8L439 Q442 F446 W462 A463 C464 K469 L470L439-F466 HydrophobicContact CD1-CE2 4.43Å; L439-F466 HydrophobicContact CD1-CZ 4.38Å; Q442-F466 HydrophobicContact CB-CD2 4.23Å; Q442-F466 HydrophobicContact CB-CE2 3.62Å; Q442-F466 HydrophobicContact CB-CZ 3.98Å; Q442-F466 HydrophobicContact CG-CE2 4.39Å; F446-F466 HydrophobicContact CB-CD1 4.03Å; F446-F466 HydrophobicContact CB-CE1 3.96Å; F446-F466 HydrophobicContact CD1-CE1 4.38Å; F446-F466 AromaticContact CD2-CD1 3.86Å; F446-F466 HydrophobicContact CD2-CD1 3.86Å; F446-F466 HydrophobicContact CD2-CE1 4.38Å; F446-F466 HydrophobicContact CE2-CD1 4.44Å; F446-F466 AromaticContact CG-CD1 3.94Å; F446-F466 HydrophobicContact CG-CD1 3.94Å; F446-F466 HydrophobicContact CG-CE1 4.01Å; W462-F466 HydrophobicContact CH2-CB 4.21Å; W462-F466 HydrophobicContact CH2-CD1 4.38Å; W462-F466 HydrophobicContact CH2-CD2 4.38Å; W462-F466 HydrophobicContact CH2-CG 4.07Å; W462-F466 HydrophobicContact CZ2-CB 4.37Å; W462-F466 HydrophobicContact CZ2-CD2 4.41Å; W462-F466 HydrophobicContact CZ2-CG 4.4Å; W462-F466 HydrophobicContact CZ3-CB 4.39Å; W462-F466 WeakPolarHBondContact O-CB 3.44Å; W462-F466 PolarHBondContact O-N 2.87Å; A463-F466 PolarHBondContact O-N 3.32Å; C464-F466 VanDerWaalsContact C-N 3.29Å; C464-F466 PolarHBondContact O-N 2.91Å; F466-K469 PolarHBondContact O-N 3.44Å; F466-L470 HydrophobicContact CD1-CD1 3.97Å; F466-L470 HydrophobicContact CE1-CD1 3.44Å; F466-L470 VanDerWaalsContact CE1-CD1 3.44Å; F466-L470 HydrophobicContact CE1-CG 4.33Å; F466-L470 HydrophobicContact CE2-CD1 4.19Å; F466-L470 HydrophobicContact CE2-CG 4.23Å; F466-L470 HydrophobicContact CZ-CD1 3.58Å; F466-L470 HydrophobicContact CZ-CD2 4.41Å; F466-L470 HydrophobicContact CZ-CG 4.1Å; F466-L470 WeakPolarHBondContact O-CG 3.16Å; F466-L470 PolarHBondContact O-N 3.35Å
467I69Low62.3Low0 Ų055.1 Ų55.10%028%0.28CS..Hα-helixtrans-64.7-43.9175.9-66.9175.2000111.9F446 A463 C464 K469 L470 S471 L492 I495 L499F446-I467 HydrophobicContact CE2-CD1 3.6Å; F446-I467 HydrophobicContact CE2-CG1 3.6Å; F446-I467 HydrophobicContact CZ-CD1 3.63Å; F446-I467 HydrophobicContact CZ-CG1 3.74Å; A463-I467 WeakPolarHBondContact O-CG1 3.39Å; A463-I467 PolarHBondContact O-N 2.81Å; A463-I467 VanDerWaalsContact O-N 3.07Å; C464-I467 PolarHBondContact O-N 3.11Å; I467-K469 VanDerWaalsContact C-N 3.29Å; I467-K469 PolarHBondContact O-N 3.45Å; I467-L470 PolarHBondContact O-N 3.09Å; I467-S471 WeakPolarHBondContact O-CB 3.31Å; I467-S471 PolarHBondContact O-N 3.11Å; I467-S471 PolarHBondContact O-OG 3.45Å; I467-L492 HydrophobicContact CG2-CB 3.92Å; I467-L492 HydrophobicContact CG2-CD2 4.25Å; I467-L492 WeakPolarHBondContact CG2-O 3.29Å; I467-I495 HydrophobicContact CD1-CB 3.85Å; I467-I495 HydrophobicContact CD1-CG2 3.63Å; I467-L499 HydrophobicContact CD1-CD1 3.52Å
468N65.4Low60.4Low51 Ų5157.2 Ų57.227%0.27329%0.294SS..Hα-helixtrans-60.3-44.9179.5-70.6-9.8000109.8C464 N465 L470 S471 D472 S496C464-N468 PolarHBondContact O-N 2.82Å; N465-N468 PolarHBondContact O-N 2.9Å; N468-L470 PolarHBondContact O-N 2.86Å; N468-S471 CarbonylContact O-C 2.98Å; N468-S471 WeakPolarHBondContact O-CA 3.43Å; N468-S471 WeakPolarHBondContact O-CB 3.31Å; N468-S471 PolarHBondContact O-N 2.84Å; N468-S471 VanDerWaalsContact O-N 3.08Å; N468-D472 PolarHBondContact O-N 3.47Å; N468-S496 PolarHBondContact OD1-OG 3.26Å
469K66.4Low58.3Low77 Ų7759.5 Ų59.534%0.33531%0.31SS..Hα-helixtrans-60.4-43.6173.6-75.3179.2173-1610113.6N465 F466 I467 S471 D472 Q473N465-K469 WeakPolarHBondContact O-CB 3.35Å; N465-K469 VanDerWaalsContact O-CG 3.32Å; N465-K469 WeakPolarHBondContact O-CG 3.35Å; N465-K469 PolarHBondContact O-N 3.38Å; F466-K469 PolarHBondContact O-N 3.44Å; I467-K469 VanDerWaalsContact C-N 3.29Å; I467-K469 PolarHBondContact O-N 3.45Å; K469-S471 PolarHBondContact O-N 3.24Å; K469-D472 PolarHBondContact O-N 3.48Å; K469-Q473 WeakPolarHBondContact O-CB 3.46Å; K469-Q473 VanDerWaalsContact O-CG 3.28Å; K469-Q473 WeakPolarHBondContact O-CG 3.4Å; K469-Q473 PolarHBondContact O-N 2.99Å
470L64.2Low56.3Low21 Ų2165.7 Ų65.711%0.1135%0.348CS..Hα-helixtrans-60.3-40.1174.5-77.6174.2000110.7F466 I467 N468 L474 Y487 L492F466-L470 HydrophobicContact CD1-CD1 3.97Å; F466-L470 HydrophobicContact CE1-CD1 3.44Å; F466-L470 VanDerWaalsContact CE1-CD1 3.44Å; F466-L470 HydrophobicContact CE1-CG 4.33Å; F466-L470 HydrophobicContact CE2-CD1 4.19Å; F466-L470 HydrophobicContact CE2-CG 4.23Å; F466-L470 HydrophobicContact CZ-CD1 3.58Å; F466-L470 HydrophobicContact CZ-CD2 4.41Å; F466-L470 HydrophobicContact CZ-CG 4.1Å; F466-L470 WeakPolarHBondContact O-CG 3.16Å; F466-L470 PolarHBondContact O-N 3.35Å; I467-L470 PolarHBondContact O-N 3.09Å; N468-L470 PolarHBondContact O-N 2.86Å; L470-L474 WeakPolarHBondContact O-CD1 3.23Å; L470-L474 WeakPolarHBondContact O-CG 3.5Å; L470-L474 PolarHBondContact O-N 3.01Å; L470-Y487 HydrophobicContact CD1-CD2 4.17Å; L470-Y487 HydrophobicContact CD1-CE2 3.83Å; L470-Y487 HydrophobicContact CD2-CE2 4.3Å; L470-L492 HydrophobicContact CB-CD1 4.11Å
471S58.7Low54.6Low28 Ų2868.2 Ų68.220%0.19637%0.366CS..Hα-helixtrans-67.4-44.7178-55.20000112I467 N468 K469 Q473 L474 E475I467-S471 WeakPolarHBondContact O-CB 3.31Å; I467-S471 PolarHBondContact O-N 3.11Å; I467-S471 PolarHBondContact O-OG 3.45Å; N468-S471 CarbonylContact O-C 2.98Å; N468-S471 WeakPolarHBondContact O-CA 3.43Å; N468-S471 WeakPolarHBondContact O-CB 3.31Å; N468-S471 PolarHBondContact O-N 2.84Å; N468-S471 VanDerWaalsContact O-N 3.08Å; K469-S471 PolarHBondContact O-N 3.24Å; S471-Q473 VanDerWaalsContact C-N 3.34Å; S471-Q473 PolarHBondContact O-N 2.92Å; S471-L474 WeakPolarHBondContact O-CA 3.23Å; S471-L474 WeakPolarHBondContact O-CB 3.48Å; S471-L474 PolarHBondContact O-N 3.26Å; S471-E475 PolarHBondContact O-N 3.2Å; S471-E475 VanDerWaalsContact O-N 3.16Å
472D56.1Low52.9Low101 Ų10171.5 Ų71.554%0.5439%0.394SS..Hα-helixtrans-63.8-38.8178.1-64.6-19.8000111.6N468 K469 L474 E475 P476N468-D472 PolarHBondContact O-N 3.47Å; K469-D472 PolarHBondContact O-N 3.48Å; D472-L474 PolarHBondContact O-N 3.03Å; D472-E475 PolarHBondContact O-N 3.09Å; D472-P476 WeakPolarHBondContact O-CD 3.23Å
473Q52.6Low50.8Low118 Ų11877.5 Ų77.555%0.55142%0.421SS*.Hα-helixtrans-67.3-20.5174.4-73.3179.911.800112.9K469 S471 F477K469-Q473 WeakPolarHBondContact O-CB 3.46Å; K469-Q473 VanDerWaalsContact O-CG 3.28Å; K469-Q473 WeakPolarHBondContact O-CG 3.4Å; K469-Q473 PolarHBondContact O-N 2.99Å; S471-Q473 VanDerWaalsContact C-N 3.34Å; S471-Q473 PolarHBondContact O-N 2.92Å; Q473-F477 WeakPolarHBondContact O-CD2 3.3Å
474L41.9Very low49.3Very low31 Ų3180.5 Ų80.516%0.16244%0.441CS..Hα-helixtrans-88.7-24.8177.9-66.6163.2000112.9L470 S471 D472 F477 N485 L492L470-L474 WeakPolarHBondContact O-CD1 3.23Å; L470-L474 WeakPolarHBondContact O-CG 3.5Å; L470-L474 PolarHBondContact O-N 3.01Å; S471-L474 WeakPolarHBondContact O-CA 3.23Å; S471-L474 WeakPolarHBondContact O-CB 3.48Å; S471-L474 PolarHBondContact O-N 3.26Å; D472-L474 PolarHBondContact O-N 3.03Å; L474-F477 PolarHBondContact O-N 2.97Å; L474-N485 HydrophobicContact CD2-CB 4.1Å; L474-N485 VanDerWaalsContact CD2-OD1 3.27Å; L474-N485 WeakPolarHBondContact CD2-OD1 3.38Å; L474-L492 HydrophobicContact CD1-CD1 3.76Å
475E39.1Very low47.8Very low161 Ų16183.7 Ų83.775%0.75246%0.458SS*.THydrogen-bonded Turntrans-58.2-40.4178.6-79-156.1151.400115.6S471 D472 F477S471-E475 PolarHBondContact O-N 3.2Å; S471-E475 VanDerWaalsContact O-N 3.16Å; D472-E475 PolarHBondContact O-N 3.09Å; E475-F477 VanDerWaalsContact C-N 3.26Å; E475-F477 PolarHBondContact O-N 3.34Å
476P31.8Very low46.6Very low98 Ų9883.9 Ų83.964%0.63646%0.458SS*.THydrogen-bonded Turntrans-76.8-6.7-176.627.3-32.6000114.2D472 S478D472-P476 WeakPolarHBondContact O-CD 3.23Å; P476-S478 PolarHBondContact O-N 2.83Å
477F31.2Very low45.5Very low120 Ų12083.8 Ų83.853%0.52646%0.458SS..SBendtrans-80.671.4174.1-71.1-80.7000110.8Q473 L474 E475 L479Q473-F477 WeakPolarHBondContact O-CD2 3.3Å; L474-F477 PolarHBondContact O-N 2.97Å; E475-F477 VanDerWaalsContact C-N 3.26Å; E475-F477 PolarHBondContact O-N 3.34Å; F477-L479 PolarHBondContact O-N 2.94Å
478S27.5Very low44.7Very low83 Ų8386.7 Ų86.758%0.5847%0.473SS*.  trans-39.7129.7164.8169.90000111.4P476 T480P476-S478 PolarHBondContact O-N 2.83Å; S478-T480 PolarHBondContact O-N 3.26Å
479L30.6Very low44.3Very low176 Ų17686.7 Ų86.792%0.92148%0.477SS*.THydrogen-bonded Turntrans-54.911.7-169.3-106.699.4000118F477F477-L479 PolarHBondContact O-N 2.94Å
480T33Very low43.8Very low136 Ų13683.8 Ų83.883%0.83447%0.468SS*.THydrogen-bonded Turntrans-90-20.7175.854.30000113.7S478S478-T480 PolarHBondContact O-N 3.26Å
481S34.5Very low43.5Very low55 Ų5583.9 Ų83.939%0.38547%0.468SS..  trans-103.6105.7164.865.80000109.1K483S481-K483 PolarHBondContact O-N 2.84Å
482S35.8Very low43.7Very low126 Ų12682.7 Ų82.788%0.88146%0.459SS*.  trans-6220.4168.953.10000114
483K36.4Very low44Very low154 Ų15482.9 Ų82.967%0.6745%0.452SS*.  trans-98.8108.4-174.8-70.8-174.7177-179.30109.4S481S481-K483 PolarHBondContact O-N 2.84Å
484C42.6Very low44.5Very low62 Ų6277.6 Ų77.642%0.41943%0.427SS..  trans81.460147.8-60.50000118.9L486C484-L486 PolarHBondContact O-N 2.72Å
485N42.2Very low45.7Very low75 Ų7576.3 Ų76.340%0.40142%0.421SS..  trans-87.496.2150-72.11.5000108.2R364 L474 Y487R364-N485 PolarHBondContact NH1-O 3.36Å; L474-N485 HydrophobicContact CD2-CB 4.1Å; L474-N485 VanDerWaalsContact CD2-OD1 3.27Å; L474-N485 WeakPolarHBondContact CD2-OD1 3.38Å; N485-Y487 PolarHBondContact O-N 2.89Å
486L46Very low47.1Very low75 Ų7569 Ų6939%0.39339%0.387SS..SBendtrans-54-30.6174.4-102.3124.1000111.5I352 C484I352-L486 HydrophobicContact CG1-CD2 4.17Å; C484-L486 PolarHBondContact O-N 2.72Å
487Y49.9Very low48.7Very low12 Ų1265.1 Ų65.15%0.04736%0.36CS..SBendtrans-128.3140.2178.5-54.5-82.1000110.5L366 L470 N485 L492L366-Y487 HydrophobicContact CD1-CD1 3.93Å; L366-Y487 HydrophobicContact CD2-CD1 3.83Å; L366-Y487 HydrophobicContact CD2-CE1 3.89Å; L470-Y487 HydrophobicContact CD1-CD2 4.17Å; L470-Y487 HydrophobicContact CD1-CE2 3.83Å; L470-Y487 HydrophobicContact CD2-CE2 4.3Å; N485-Y487 PolarHBondContact O-N 2.89Å; Y487-L492 VanDerWaalsContact CB-CG 3.45Å; Y487-L492 HydrophobicContact CD1-CD2 3.99Å; Y487-L492 HydrophobicContact CD2-CD1 4.39Å; Y487-L492 HydrophobicContact CD2-CD2 4.33Å; Y487-L492 HydrophobicContact CG-CD1 4.18Å; Y487-L492 HydrophobicContact CG-CD2 3.74Å; Y487-L492 HydrophobicContact CG-CG 4.11Å
488N52.6Low50.4Low60 Ų6060 Ų6032%0.32134%0.338SS..  trans-70.1133.7170.5-169-14.8000109A490 E491 L492 L537N488-A490 PolarHBondContact O-N 2.78Å; N488-A490 PolarHBondContact OD1-N 3.25Å; N488-E491 HydrophobicContact CB-CB 4.26Å; N488-E491 HydrophobicContact CB-CG 4.01Å; N488-E491 WeakPolarHBondContact CB-OE2 3.35Å; N488-E491 PolarHBondContact O-N 2.8Å; N488-E491 VanDerWaalsContact O-N 3.09Å; N488-L492 PolarHBondContact O-N 2.94Å; N488-L537 WeakPolarHBondContact ND2-CD1 3.31Å
489S57.4Low52.3Low51 Ų5156.3 Ų56.336%0.35731%0.312SS..Hα-helixtrans-58.8-34.9-178.458.40000112.1R493S489-R493 WeakPolarHBondContact O-CB 3.48Å; S489-R493 VanDerWaalsContact O-CG 3.24Å; S489-R493 WeakPolarHBondContact O-CG 3.49Å; S489-R493 PolarHBondContact O-N 2.73Å
490A56Low54Low17 Ų1748.8 Ų48.814%0.1427%0.272CS..Hα-helixtrans-66.8-38.717700000112.9N488 L494N488-A490 PolarHBondContact O-N 2.78Å; N488-A490 PolarHBondContact OD1-N 3.25Å; A490-L494 PolarHBondContact O-N 3.27Å
491E58.3Low55.4Low23 Ų2342.9 Ų42.911%0.10724%0.235CC..Hα-helixtrans-70.8-44.6178.5-67.7170150.400110.9L366 N488 R493 L494 I495 L534 L537L366-E491 WeakPolarHBondContact CD1-OE2 3.28Å; N488-E491 HydrophobicContact CB-CB 4.26Å; N488-E491 HydrophobicContact CB-CG 4.01Å; N488-E491 WeakPolarHBondContact CB-OE2 3.35Å; N488-E491 PolarHBondContact O-N 2.8Å; N488-E491 VanDerWaalsContact O-N 3.09Å; E491-R493 VanDerWaalsContact C-N 3.32Å; E491-R493 PolarHBondContact O-N 2.79Å; E491-L494 WeakPolarHBondContact O-CB 3.48Å; E491-L494 PolarHBondContact O-N 3.45Å; E491-I495 VanDerWaalsContact O-CD1 3.31Å; E491-I495 WeakPolarHBondContact O-CD1 3.44Å; E491-I495 VanDerWaalsContact O-CG1 3.28Å; E491-I495 WeakPolarHBondContact O-CG1 3.24Å; E491-I495 PolarHBondContact O-N 3.31Å; E491-L534 HydrophobicContact CG-CD1 4.38Å; E491-L537 HydrophobicContact CG-CD2 4.47Å
492L62.3Low56.6Low2 Ų240.5 Ų40.51%0.0122%0.218CC..Hα-helixtrans-57.6-45.6173.8-75.6-174.2000111.6I467 L470 L474 Y487 N488 L494 I495 S496I467-L492 HydrophobicContact CG2-CB 3.92Å; I467-L492 HydrophobicContact CG2-CD2 4.25Å; I467-L492 WeakPolarHBondContact CG2-O 3.29Å; L470-L492 HydrophobicContact CB-CD1 4.11Å; L474-L492 HydrophobicContact CD1-CD1 3.76Å; Y487-L492 VanDerWaalsContact CB-CG 3.45Å; Y487-L492 HydrophobicContact CD1-CD2 3.99Å; Y487-L492 HydrophobicContact CD2-CD1 4.39Å; Y487-L492 HydrophobicContact CD2-CD2 4.33Å; Y487-L492 HydrophobicContact CG-CD1 4.18Å; Y487-L492 HydrophobicContact CG-CD2 3.74Å; Y487-L492 HydrophobicContact CG-CG 4.11Å; N488-L492 PolarHBondContact O-N 2.94Å; L492-L494 PolarHBondContact O-N 3.46Å; L492-I495 PolarHBondContact O-N 3.23Å; L492-S496 WeakPolarHBondContact O-CB 3.33Å; L492-S496 PolarHBondContact O-N 3.23Å
493R62.8Low57.8Low105 Ų10534.7 Ų34.740%0.39618%0.177SC..Hα-helixtrans-57.4-48.3175.2-75.5179.3-152.2175.70.8111.1S489 E491 I495 S496 W497 D530S489-R493 WeakPolarHBondContact O-CB 3.48Å; S489-R493 VanDerWaalsContact O-CG 3.24Å; S489-R493 WeakPolarHBondContact O-CG 3.49Å; S489-R493 PolarHBondContact O-N 2.73Å; E491-R493 VanDerWaalsContact C-N 3.32Å; E491-R493 PolarHBondContact O-N 2.79Å; R493-I495 VanDerWaalsContact C-N 3.34Å; R493-I495 PolarHBondContact O-N 3.43Å; R493-S496 CarbonylContact O-C 3.45Å; R493-S496 WeakPolarHBondContact O-CB 3.25Å; R493-S496 PolarHBondContact O-N 3.09Å; R493-W497 VanDerWaalsContact O-CG 3.27Å; R493-W497 PolarHBondContact O-N 3.36Å; R493-D530 WeakPolarHBondContact CD-OD2 3.33Å; R493-D530 IonicContact NH1-OD1 2.82Å; R493-D530 PolarHBondContact NH1-OD1 2.89Å
494L63.2Low58.7Low7 Ų729 Ų294%0.03715%0.154CC..Hα-helixtrans-57.5-45.5177-178.674.1000112.3A490 E491 L492 S496 W497 I498 L534 F557 V562A490-L494 PolarHBondContact O-N 3.27Å; E491-L494 WeakPolarHBondContact O-CB 3.48Å; E491-L494 PolarHBondContact O-N 3.45Å; L492-L494 PolarHBondContact O-N 3.46Å; L494-S496 VanDerWaalsContact C-N 3.31Å; L494-S496 PolarHBondContact O-N 3.4Å; L494-W497 CarbonylContact O-C 3.59Å; L494-W497 WeakPolarHBondContact O-CA 3.38Å; L494-W497 WeakPolarHBondContact O-CB 3.43Å; L494-W497 PolarHBondContact O-N 3.14Å; L494-W497 VanDerWaalsContact O-N 3.16Å; L494-I498 HydrophobicContact CD1-CD1 4.25Å; L494-I498 HydrophobicContact CD2-CD1 4.1Å; L494-I498 HydrophobicContact CG-CD1 3.82Å; L494-I498 HydrophobicContact CG-CG1 4.44Å; L494-I498 WeakPolarHBondContact O-CG1 3.45Å; L494-I498 PolarHBondContact O-N 3.18Å; L494-L534 HydrophobicContact CB-CD2 4.21Å; L494-L534 HydrophobicContact CD1-CD2 3.74Å; L494-L534 HydrophobicContact CD2-CD1 4.33Å; L494-L534 HydrophobicContact CD2-CD2 3.23Å; L494-L534 HydrophobicContact CD2-CG 4.39Å; L494-L534 HydrophobicContact CG-CD2 3.86Å; L494-F557 HydrophobicContact CD2-CD1 4.05Å; L494-F557 HydrophobicContact CD2-CE1 3.76Å; L494-F557 HydrophobicContact CD2-CE2 4.24Å; L494-F557 HydrophobicContact CD2-CG 4.42Å; L494-F557 HydrophobicContact CD2-CZ 3.86Å; L494-V562 HydrophobicContact CD1-CG1 4.38Å
495I66.4Low59.3Low4 Ų428 Ų282%0.02115%0.148CC..Hα-helixtrans-67.2-38.7-179.2-56.3148.5000110L368 F446 L450 I467 E491 L492 R493 W497 I498 L499L368-I495 HydrophobicContact CD1-CD1 3.12Å; L368-I495 HydrophobicContact CD1-CG1 3.88Å; F446-I495 HydrophobicContact CE2-CG2 4.43Å; F446-I495 HydrophobicContact CZ-CG2 3.75Å; L450-I495 HydrophobicContact CD1-CG2 4.27Å; L450-I495 HydrophobicContact CD2-CG2 3.73Å; I467-I495 HydrophobicContact CD1-CB 3.85Å; I467-I495 HydrophobicContact CD1-CG2 3.63Å; E491-I495 VanDerWaalsContact O-CD1 3.31Å; E491-I495 WeakPolarHBondContact O-CD1 3.44Å; E491-I495 VanDerWaalsContact O-CG1 3.28Å; E491-I495 WeakPolarHBondContact O-CG1 3.24Å; E491-I495 PolarHBondContact O-N 3.31Å; L492-I495 PolarHBondContact O-N 3.23Å; R493-I495 VanDerWaalsContact C-N 3.34Å; R493-I495 PolarHBondContact O-N 3.43Å; I495-W497 VanDerWaalsContact C-N 3.29Å; I495-W497 PolarHBondContact O-N 3.13Å; I495-I498 PolarHBondContact O-N 3.41Å; I495-L499 HydrophobicContact CG2-CD1 4.11Å; I495-L499 HydrophobicContact CG2-CG 4.4Å; I495-L499 WeakPolarHBondContact O-CB 3.34Å; I495-L499 WeakPolarHBondContact O-CG 3.17Å; I495-L499 PolarHBondContact O-N 3.49Å
496S67.9Low59.8Low7 Ų727.5 Ų27.55%0.04914%0.143CC..Hα-helixtrans-56.7-46.2170.7-169.20000110.3N468 L492 R493 L494 L499 Q500N468-S496 PolarHBondContact OD1-OG 3.26Å; L492-S496 WeakPolarHBondContact O-CB 3.33Å; L492-S496 PolarHBondContact O-N 3.23Å; R493-S496 CarbonylContact O-C 3.45Å; R493-S496 WeakPolarHBondContact O-CB 3.25Å; R493-S496 PolarHBondContact O-N 3.09Å; L494-S496 VanDerWaalsContact C-N 3.31Å; L494-S496 PolarHBondContact O-N 3.4Å; S496-L499 PolarHBondContact O-N 2.92Å; S496-Q500 WeakPolarHBondContact O-CB 3.28Å; S496-Q500 WeakPolarHBondContact O-CG 3.33Å; S496-Q500 PolarHBondContact O-N 3.39Å; S496-Q500 PolarHBondContact OG-NE2 3.39Å
497W66.6Low60.1Low17 Ų1725.9 Ų25.96%0.06414%0.135CC..Hα-helixtrans-59.8-49.3175.4-68.9124.5000112R493 L494 I495 L499 Q500 M501 L523 Q526 F527 D530R493-W497 VanDerWaalsContact O-CG 3.27Å; R493-W497 PolarHBondContact O-N 3.36Å; L494-W497 CarbonylContact O-C 3.59Å; L494-W497 WeakPolarHBondContact O-CA 3.38Å; L494-W497 WeakPolarHBondContact O-CB 3.43Å; L494-W497 PolarHBondContact O-N 3.14Å; L494-W497 VanDerWaalsContact O-N 3.16Å; I495-W497 VanDerWaalsContact C-N 3.29Å; I495-W497 PolarHBondContact O-N 3.13Å; W497-L499 VanDerWaalsContact C-N 3.3Å; W497-L499 PolarHBondContact O-N 3.28Å; W497-Q500 PolarHBondContact O-N 3.36Å; W497-M501 VanDerWaalsContact O-CB 3.29Å; W497-M501 WeakPolarHBondContact O-CB 3.3Å; W497-M501 WeakPolarHBondContact O-CG 3.41Å; W497-M501 PolarHBondContact O-N 2.97Å; W497-L523 HydrophobicContact CH2-CB 3.41Å; W497-L523 VanDerWaalsContact CH2-CB 3.41Å; W497-L523 HydrophobicContact CH2-CD1 3.82Å; W497-L523 HydrophobicContact CH2-CD2 3.32Å; W497-L523 HydrophobicContact CH2-CG 3.64Å; W497-L523 WeakPolarHBondContact CH2-O 3.43Å; W497-L523 HydrophobicContact CZ2-CD2 3.89Å; W497-L523 HydrophobicContact CZ3-CB 3.83Å; W497-L523 HydrophobicContact CZ3-CD1 3.85Å; W497-L523 HydrophobicContact CZ3-CD2 4.18Å; W497-L523 HydrophobicContact CZ3-CG 4.14Å; W497-Q526 HydrophobicContact CZ2-CB 4.38Å; W497-Q526 HydrophobicContact CZ2-CG 4.42Å; W497-F527 HydrophobicContact CB-CD2 3.8Å; W497-F527 HydrophobicContact CB-CE2 3.85Å; W497-F527 AromaticContact CD1-CD2 3.86Å; W497-F527 HydrophobicContact CD2-CB 4.1Å; W497-F527 AromaticContact CD2-CD2 3.57Å; W497-F527 HydrophobicContact CD2-CD2 3.57Å; W497-F527 HydrophobicContact CD2-CE2 4.48Å; W497-F527 HydrophobicContact CD2-CG 4.29Å; W497-F527 HydrophobicContact CE3-CB 4.19Å; W497-F527 AromaticContact CE3-CD2 3.92Å; W497-F527 HydrophobicContact CE3-CD2 3.92Å; W497-F527 HydrophobicContact CE3-CG 4.42Å; W497-F527 AromaticContact CG-CD2 3.5Å; W497-F527 HydrophobicContact CG-CD2 3.5Å; W497-F527 HydrophobicContact CG-CE2 4.07Å; W497-F527 HydrophobicContact CH2-CB 3.83Å; W497-F527 HydrophobicContact CZ2-CB 3.79Å; W497-F527 HydrophobicContact CZ3-CB 4.05Å; W497-D530 PolarHBondContact NE1-OD2 3.39Å
498I66.5Low60.3Low13 Ų1332.1 Ų32.17%0.06716%0.164CC..Hα-helixtrans-61.9-39.8179.8-70.1166.5000111.2L494 I495 M501 T502 F557 V565L494-I498 HydrophobicContact CD1-CD1 4.25Å; L494-I498 HydrophobicContact CD2-CD1 4.1Å; L494-I498 HydrophobicContact CG-CD1 3.82Å; L494-I498 HydrophobicContact CG-CG1 4.44Å; L494-I498 WeakPolarHBondContact O-CG1 3.45Å; L494-I498 PolarHBondContact O-N 3.18Å; I495-I498 PolarHBondContact O-N 3.41Å; I498-M501 PolarHBondContact O-N 3.43Å; I498-T502 WeakPolarHBondContact O-CB 3.34Å; I498-T502 PolarHBondContact O-N 3.49Å; I498-T502 PolarHBondContact O-OG1 2.99Å; I498-F557 HydrophobicContact CD1-CE1 3.32Å; I498-F557 HydrophobicContact CD1-CZ 3.23Å; I498-V565 HydrophobicContact CG1-CG1 4.44Å
499L67.7Low59.9Low5 Ų535.1 Ų35.13%0.02618%0.18CC..Hα-helixtrans-67.6-45.7175.9-73.6169.6000112.2F446 L450 I460 A463 C464 I467 I495 S496 W497 M501 T502 L503F446-L499 HydrophobicContact CE2-CD1 3.85Å; L450-L499 HydrophobicContact CD2-CD1 4.19Å; L450-L499 HydrophobicContact CD2-CD2 3.73Å; L450-L499 HydrophobicContact CD2-CG 4Å; I460-L499 HydrophobicContact CG2-CB 4.32Å; I460-L499 HydrophobicContact CG2-CD2 4.16Å; I460-L499 WeakPolarHBondContact CG2-O 3.47Å; A463-L499 HydrophobicContact CB-CD1 3.71Å; A463-L499 HydrophobicContact CB-CD2 4.21Å; C464-L499 WeakPolarHBondContact SG-CB 3.05Å; I467-L499 HydrophobicContact CD1-CD1 3.52Å; I495-L499 HydrophobicContact CG2-CD1 4.11Å; I495-L499 HydrophobicContact CG2-CG 4.4Å; I495-L499 WeakPolarHBondContact O-CB 3.34Å; I495-L499 WeakPolarHBondContact O-CG 3.17Å; I495-L499 PolarHBondContact O-N 3.49Å; S496-L499 PolarHBondContact O-N 2.92Å; W497-L499 VanDerWaalsContact C-N 3.3Å; W497-L499 PolarHBondContact O-N 3.28Å; L499-M501 PolarHBondContact O-N 3.02Å; L499-T502 WeakPolarHBondContact O-CB 3.47Å; L499-T502 PolarHBondContact O-N 3.46Å; L499-T502 VanDerWaalsContact O-N 3.16Å; L499-L503 WeakPolarHBondContact O-CB 3.32Å; L499-L503 PolarHBondContact O-N 3.11Å
500Q66.5Low59.4Low18 Ų1841.7 Ų41.78%0.08420%0.202CC..Hα-helixtrans-57.4-41.6174.8-74175.624.300110.8S496 W497 L503 L504S496-Q500 WeakPolarHBondContact O-CB 3.28Å; S496-Q500 WeakPolarHBondContact O-CG 3.33Å; S496-Q500 PolarHBondContact O-N 3.39Å; S496-Q500 PolarHBondContact OG-NE2 3.39Å; W497-Q500 PolarHBondContact O-N 3.36Å; Q500-L503 PolarHBondContact O-N 3.26Å; Q500-L504 VanDerWaalsContact O-CG 3.29Å; Q500-L504 WeakPolarHBondContact O-CG 3.37Å; Q500-L504 PolarHBondContact O-N 3.33Å; Q500-L504 VanDerWaalsContact O-N 3.08Å
501M61.8Low59Low12 Ų1242.3 Ų42.36%0.05921%0.205CC..Hα-helixtrans-67.1-41.9176.7-67.5-69.4-131.300112.4W497 I498 L499 L503 L504 S505 W524 F527 T569 Y573W497-M501 VanDerWaalsContact O-CB 3.29Å; W497-M501 WeakPolarHBondContact O-CB 3.3Å; W497-M501 WeakPolarHBondContact O-CG 3.41Å; W497-M501 PolarHBondContact O-N 2.97Å; I498-M501 PolarHBondContact O-N 3.43Å; L499-M501 PolarHBondContact O-N 3.02Å; M501-L503 VanDerWaalsContact C-N 3.32Å; M501-L503 PolarHBondContact O-N 3.43Å; M501-L504 PolarHBondContact O-N 2.95Å; M501-S505 PolarHBondContact O-N 3.42Å; M501-S505 VanDerWaalsContact O-N 3.12Å; M501-W524 HydrophobicContact CE-CH2 3.32Å; M501-W524 HydrophobicContact CE-CZ3 3.24Å; M501-W524 HydrophobicContact SD-CH2 3.56Å; M501-W524 VanDerWaalsContact SD-CH2 3.56Å; M501-W524 HydrophobicContact SD-CZ3 4.08Å; M501-F527 HydrophobicContact CE-CE1 4.32Å; M501-F527 HydrophobicContact CE-CE2 4.36Å; M501-F527 HydrophobicContact CE-CZ 4Å; M501-T569 HydrophobicContact CB-CG2 3.89Å; M501-T569 HydrophobicContact CE-CG2 3.16Å; M501-T569 HydrophobicContact CG-CG2 3.83Å; M501-T569 HydrophobicContact SD-CG2 3.33Å; M501-T569 WeakPolarHBondContact SD-CG2 3.47Å; M501-Y573 HydrophobicContact CE-CE2 4.38Å; M501-Y573 HydrophobicContact SD-CE2 3.67Å
502T60.7Low58.4Low6 Ų644.2 Ų44.24%0.03721%0.213CC..Hα-helixtrans-62-43175.9-56.10000110.4I374 I460 I498 L499 L504 S505 H506I374-T502 HydrophobicContact CB-CG2 4.22Å; I374-T502 HydrophobicContact CG2-CG2 3.48Å; I374-T502 VanDerWaalsContact CG2-CG2 3.48Å; I460-T502 HydrophobicContact CD1-CG2 3.98Å; I498-T502 WeakPolarHBondContact O-CB 3.34Å; I498-T502 PolarHBondContact O-N 3.49Å; I498-T502 PolarHBondContact O-OG1 2.99Å; L499-T502 WeakPolarHBondContact O-CB 3.47Å; L499-T502 PolarHBondContact O-N 3.46Å; L499-T502 VanDerWaalsContact O-N 3.16Å; T502-L504 PolarHBondContact O-N 3Å; T502-S505 WeakPolarHBondContact O-CB 3.37Å; T502-S505 PolarHBondContact O-N 2.83Å; T502-S505 PolarHBondContact O-OG 2.91Å; T502-H506 PolarHBondContact O-N 3.38Å
503L59.9Low57.7Low4 Ų449.1 Ų49.12%0.02124%0.243CC..Hα-helixtrans-63-41.8179-170.643.1000112.6I460 I461 L499 Q500 M501 S505 H506 D507 I515I460-L503 HydrophobicContact CB-CD1 4.31Å; I460-L503 HydrophobicContact CG2-CB 3.7Å; I460-L503 HydrophobicContact CG2-CD1 4.36Å; I460-L503 HydrophobicContact CG2-CD2 4.09Å; I460-L503 HydrophobicContact CG2-CG 4.29Å; I461-L503 HydrophobicContact CB-CD2 4.33Å; I461-L503 HydrophobicContact CD1-CD2 4.39Å; I461-L503 HydrophobicContact CG1-CD1 4.19Å; I461-L503 HydrophobicContact CG1-CD2 3.35Å; I461-L503 HydrophobicContact CG1-CG 4.4Å; L499-L503 WeakPolarHBondContact O-CB 3.32Å; L499-L503 PolarHBondContact O-N 3.11Å; Q500-L503 PolarHBondContact O-N 3.26Å; M501-L503 VanDerWaalsContact C-N 3.32Å; M501-L503 PolarHBondContact O-N 3.43Å; L503-S505 PolarHBondContact O-N 3.47Å; L503-H506 PolarHBondContact O-N 3.28Å; L503-D507 PolarHBondContact O-N 3Å; L503-I515 HydrophobicContact CB-CD1 4.45Å; L503-I515 HydrophobicContact CD2-CD1 3Å; L503-I515 HydrophobicContact CG-CD1 3.74Å
504L56.3Low56.9Low33 Ų3349.7 Ų49.717%0.17325%0.253CS..Hα-helixtrans-65.2-26.7174.4-71.1168.5000112.7Q500 M501 T502 I515 Y573Q500-L504 VanDerWaalsContact O-CG 3.29Å; Q500-L504 WeakPolarHBondContact O-CG 3.37Å; Q500-L504 PolarHBondContact O-N 3.33Å; Q500-L504 VanDerWaalsContact O-N 3.08Å; M501-L504 PolarHBondContact O-N 2.95Å; T502-L504 PolarHBondContact O-N 3Å; L504-I515 HydrophobicContact CD2-CG2 4.17Å; L504-I515 HydrophobicContact CG-CG2 4.2Å; L504-Y573 WeakPolarHBondContact CB-OH 3.27Å; L504-Y573 WeakPolarHBondContact CD1-OH 3.42Å
505S53.5Low56.2Low42 Ų4250.2 Ų50.229%0.29426%0.256SS..Hα-helixtrans-80.8-30.4175.978.10000113.7M501 T502 L503M501-S505 PolarHBondContact O-N 3.42Å; M501-S505 VanDerWaalsContact O-N 3.12Å; T502-S505 WeakPolarHBondContact O-CB 3.37Å; T502-S505 PolarHBondContact O-N 2.83Å; T502-S505 PolarHBondContact O-OG 2.91Å; L503-S505 PolarHBondContact O-N 3.47Å
506H54.4Low55.2Low64 Ų6453 Ų5330%0.29627%0.268SS..Hα-helixtrans-82-30-174.3-109.6-42.1000114.2I374 N455 T502 L503I374-H506 WeakPolarHBondContact CG2-NE2 3.23Å; N455-H506 PolarHBondContact ND2-NE2 3.31Å; T502-H506 PolarHBondContact O-N 3.38Å; L503-H506 PolarHBondContact O-N 3.28Å
507D51.4Low54.2Low41 Ų4154.6 Ų54.622%0.21928%0.279CS..  trans-133111.5-167-159.1-3.6000112.8L503 D509 S511L503-D507 PolarHBondContact O-N 3Å; D507-D509 VanDerWaalsContact C-N 3.34Å; D507-D509 PolarHBondContact OD1-N 2.97Å; D507-D509 VanDerWaalsContact OD1-N 3.16Å; D507-D509 VanDerWaalsContact OD1-O 3.09Å; D507-S511 VanDerWaalsContact CB-OG 3.31Å; D507-S511 WeakPolarHBondContact CB-OG 2.92Å; D507-S511 PolarHBondContact OD2-OG 3.18Å
508H53.6Low53.4Low144 Ų14457.4 Ų57.467%0.66729%0.293SS*.SBendtrans-80.6-14.6175.8-76.9-30.3000113.1K512H508-K512 WeakPolarHBondContact O-CD 3.5Å; H508-K512 VanDerWaalsContact O-CE 3.23Å; H508-K512 WeakPolarHBondContact O-CE 3.49Å; H508-K512 PolarHBondContact O-NZ 3.43Å
509D45.4Very low52.4Low122 Ų12257.6 Ų57.665%0.65230%0.296SS*.SBendtrans-124.8136.1-171.8-92.5-35.8000113.9D507 S511D507-D509 VanDerWaalsContact C-N 3.34Å; D507-D509 PolarHBondContact OD1-N 2.97Å; D507-D509 VanDerWaalsContact OD1-N 3.16Å; D507-D509 VanDerWaalsContact OD1-O 3.09Å; D509-S511 VanDerWaalsContact C-N 3.3Å; D509-S511 PolarHBondContact O-N 3.4Å; D509-S511 PolarHBondContact O-OG 2.87Å
510K47.4Very low51.4Low190 Ų19062.5 Ų62.583%0.82632%0.315SS*.SBendtrans62.6-41.8170.2-63.4-176.6179.6178.50119.6K512K510-K512 PolarHBondContact O-N 3.49Å; K510-K512 VanDerWaalsContact O-N 3.13Å
511S45.9Very low50.8Low29 Ų2968.2 Ų68.220%0.20335%0.345CS..THydrogen-bonded Turntrans-66.9-12.7177.447.30000113.2D507 D509 V513D507-S511 VanDerWaalsContact CB-OG 3.31Å; D507-S511 WeakPolarHBondContact CB-OG 2.92Å; D507-S511 PolarHBondContact OD2-OG 3.18Å; D509-S511 VanDerWaalsContact C-N 3.3Å; D509-S511 PolarHBondContact O-N 3.4Å; D509-S511 PolarHBondContact O-OG 2.87Å; S511-V513 VanDerWaalsContact C-N 3.32Å; S511-V513 PolarHBondContact O-N 2.76Å
512K47.4Very low50.5Low64 Ų6469.5 Ų69.528%0.27836%0.362SS..Hα-helixtrans-54.3-31.1173.2-81.7174.2172.7165.90115.4H508 K510 K516H508-K512 WeakPolarHBondContact O-CD 3.5Å; H508-K512 VanDerWaalsContact O-CE 3.23Å; H508-K512 WeakPolarHBondContact O-CE 3.49Å; H508-K512 PolarHBondContact O-NZ 3.43Å; K510-K512 PolarHBondContact O-N 3.49Å; K510-K512 VanDerWaalsContact O-N 3.13Å; K512-K516 HydrophobicContact CB-CD 3.87Å; K512-K516 HydrophobicContact CB-CG 4Å; K512-K516 HydrophobicContact CD-CD 4.27Å; K512-K516 VanDerWaalsContact CD-CE 3.48Å; K512-K516 HydrophobicContact CG-CD 4.04Å; K512-K516 HydrophobicContact CG-CG 4.21Å; K512-K516 WeakPolarHBondContact O-CA 3.22Å; K512-K516 WeakPolarHBondContact O-CB 3.21Å; K512-K516 WeakPolarHBondContact O-CG 3.09Å; K512-K516 PolarHBondContact O-N 2.98Å
513V46.5Very low50.4Low105 Ų10571.2 Ų71.264%0.63637%0.371SS*.Hα-helixtrans-67.4-48-164.1-177.90000112.9S511 S517S511-V513 VanDerWaalsContact C-N 3.32Å; S511-V513 PolarHBondContact O-N 2.76Å; V513-S517 WeakPolarHBondContact O-CB 3.36Å; V513-S517 PolarHBondContact O-N 2.55Å; V513-S517 PolarHBondContact O-OG 2.92Å
514L46.6Very low50.8Low117 Ų11771.9 Ų71.961%0.61337%0.373SS*.Hα-helixtrans-72.9-46.8-177.2-148.987.5000111.2S517 E518L514-S517 WeakPolarHBondContact O-CA 3.11Å; L514-S517 WeakPolarHBondContact O-CB 3.3Å; L514-S517 PolarHBondContact O-N 2.9Å; L514-S517 PolarHBondContact O-OG 3.15Å; L514-E518 PolarHBondContact O-N 3.34Å
515I47.6Very low51.3Low17 Ų1774.4 Ų74.49%0.08739%0.387CS..Hα-helixtrans-78.6-33.8-174.3-60.7178.9000111.7L503 L504 S517 E518 A519L503-I515 HydrophobicContact CB-CD1 4.45Å; L503-I515 HydrophobicContact CD2-CD1 3Å; L503-I515 HydrophobicContact CG-CD1 3.74Å; L504-I515 HydrophobicContact CD2-CG2 4.17Å; L504-I515 HydrophobicContact CG-CG2 4.2Å; I515-S517 VanDerWaalsContact C-N 3.28Å; I515-E518 PolarHBondContact O-N 2.92Å; I515-A519 VanDerWaalsContact O-CB 3.24Å; I515-A519 WeakPolarHBondContact O-CB 3.46Å; I515-A519 PolarHBondContact O-N 3.46Å
516K45.2Very low52Low63 Ų6375.9 Ų75.927%0.27439%0.389SS..Hα-helixtrans-64.1-36.4164.4-69.7-170.9168.8-169.60110.5K512 A519 R520K512-K516 HydrophobicContact CB-CD 3.87Å; K512-K516 HydrophobicContact CB-CG 4Å; K512-K516 HydrophobicContact CD-CD 4.27Å; K512-K516 VanDerWaalsContact CD-CE 3.48Å; K512-K516 HydrophobicContact CG-CD 4.04Å; K512-K516 HydrophobicContact CG-CG 4.21Å; K512-K516 WeakPolarHBondContact O-CA 3.22Å; K512-K516 WeakPolarHBondContact O-CB 3.21Å; K512-K516 WeakPolarHBondContact O-CG 3.09Å; K512-K516 PolarHBondContact O-N 2.98Å; K516-A519 CarbonylContact O-C 2.95Å; K516-A519 PolarHBondContact O-N 2.94Å; K516-R520 WeakPolarHBondContact O-CA 3.48Å; K516-R520 WeakPolarHBondContact O-CB 3.34Å; K516-R520 VanDerWaalsContact O-CD 3.22Å; K516-R520 WeakPolarHBondContact O-CD 3.18Å; K516-R520 WeakPolarHBondContact O-CG 3.4Å; K516-R520 PolarHBondContact O-N 3.42Å
517S48.4Very low52.7Low40 Ų4073.2 Ų73.228%0.2838%0.377SS..Hα-helixtrans-65.3-38.1178.276.80000112.8V513 L514 I515 R520 N521V513-S517 WeakPolarHBondContact O-CB 3.36Å; V513-S517 PolarHBondContact O-N 2.55Å; V513-S517 PolarHBondContact O-OG 2.92Å; L514-S517 WeakPolarHBondContact O-CA 3.11Å; L514-S517 WeakPolarHBondContact O-CB 3.3Å; L514-S517 PolarHBondContact O-N 2.9Å; L514-S517 PolarHBondContact O-OG 3.15Å; I515-S517 VanDerWaalsContact C-N 3.28Å; S517-R520 WeakPolarHBondContact O-CB 3.37Å; S517-R520 PolarHBondContact O-N 3.25Å; S517-N521 PolarHBondContact O-N 2.76Å; S517-N521 PolarHBondContact O-ND2 2.7Å; S517-N521 PolarHBondContact O-OD1 3.35Å
518E49.7Very low53.6Low76 Ų7671.8 Ų71.836%0.35537%0.369SS..Hα-helixtrans-69.9-46.4173.5-71.6-178.4163.700110.8L514 I515 R520 N521 L523L514-E518 PolarHBondContact O-N 3.34Å; I515-E518 PolarHBondContact O-N 2.92Å; E518-R520 PolarHBondContact O-N 3.01Å; E518-N521 PolarHBondContact O-N 3.4Å; E518-L523 HydrophobicContact CB-CD1 3.81Å; E518-L523 VanDerWaalsContact O-CD1 3.29Å; E518-L523 WeakPolarHBondContact O-CD1 3.31Å; E518-L523 VanDerWaalsContact O-CG 3.26Å; E518-L523 WeakPolarHBondContact O-CG 3.36Å
519A45.3Very low54.4Low17 Ų1770.1 Ų70.114%0.1436%0.362CS..Hα-helixtrans-60.4-26172.200000112.7I515 K516 N521I515-A519 VanDerWaalsContact O-CB 3.24Å; I515-A519 WeakPolarHBondContact O-CB 3.46Å; I515-A519 PolarHBondContact O-N 3.46Å; K516-A519 CarbonylContact O-C 2.95Å; K516-A519 PolarHBondContact O-N 2.94Å; A519-N521 VanDerWaalsContact C-N 3.32Å
520R46.8Very low55.4Low109 Ų10964.8 Ų64.841%0.41133%0.333SS..Hα-helixtrans-72.4-20175.2-80.9159.8173.8-176.7-3113.2K516 S517 E518 G522 Q714K516-R520 WeakPolarHBondContact O-CA 3.48Å; K516-R520 WeakPolarHBondContact O-CB 3.34Å; K516-R520 VanDerWaalsContact O-CD 3.22Å; K516-R520 WeakPolarHBondContact O-CD 3.18Å; K516-R520 WeakPolarHBondContact O-CG 3.4Å; K516-R520 PolarHBondContact O-N 3.42Å; S517-R520 WeakPolarHBondContact O-CB 3.37Å; S517-R520 PolarHBondContact O-N 3.25Å; E518-R520 PolarHBondContact O-N 3.01Å; R520-G522 PolarHBondContact O-N 2.81Å; R520-Q714 HydrophobicContact CB-CG 4.16Å; R520-Q714 HydrophobicContact CG-CB 3.87Å; R520-Q714 HydrophobicContact CG-CG 3.81Å; R520-Q714 PolarHBondContact O-NE2 3.37Å
521N53.1Low56.5Low137 Ų13755.8 Ų55.873%0.73329%0.294SS*.THydrogen-bonded Turntrans-9928.3-169.9-71-14.8000114.8S517 E518 A519S517-N521 PolarHBondContact O-N 2.76Å; S517-N521 PolarHBondContact O-ND2 2.7Å; S517-N521 PolarHBondContact O-OD1 3.35Å; E518-N521 PolarHBondContact O-N 3.4Å; A519-N521 VanDerWaalsContact C-N 3.32Å
522G55.2Low57.7Low40 Ų4059.9 Ų59.941%0.41231%0.308SS..THydrogen-bonded Turntrans92.112.2175.200000115.2R520 W524 D525R520-G522 PolarHBondContact O-N 2.81Å; G522-W524 VanDerWaalsContact C-N 3.25Å; G522-W524 PolarHBondContact O-N 3.41Å; G522-D525 PolarHBondContact O-N 2.88Å
523L59.1Low58.6Low42 Ų4259.9 Ų59.922%0.2232%0.316CS..Hα-helixtrans-58.8-28.6178.4-92.3-168.5000113.8W497 E518 Q526 F527W497-L523 HydrophobicContact CH2-CB 3.41Å; W497-L523 VanDerWaalsContact CH2-CB 3.41Å; W497-L523 HydrophobicContact CH2-CD1 3.82Å; W497-L523 HydrophobicContact CH2-CD2 3.32Å; W497-L523 HydrophobicContact CH2-CG 3.64Å; W497-L523 WeakPolarHBondContact CH2-O 3.43Å; W497-L523 HydrophobicContact CZ2-CD2 3.89Å; W497-L523 HydrophobicContact CZ3-CB 3.83Å; W497-L523 HydrophobicContact CZ3-CD1 3.85Å; W497-L523 HydrophobicContact CZ3-CD2 4.18Å; W497-L523 HydrophobicContact CZ3-CG 4.14Å; E518-L523 HydrophobicContact CB-CD1 3.81Å; E518-L523 VanDerWaalsContact O-CD1 3.29Å; E518-L523 WeakPolarHBondContact O-CD1 3.31Å; E518-L523 VanDerWaalsContact O-CG 3.26Å; E518-L523 WeakPolarHBondContact O-CG 3.36Å; L523-Q526 CarbonylContact O-C 3.54Å; L523-Q526 WeakPolarHBondContact O-CB 3.26Å; L523-Q526 PolarHBondContact O-N 2.95Å; L523-F527 WeakPolarHBondContact O-CB 3.28Å; L523-F527 PolarHBondContact O-N 2.95Å
524W67.3Low59.5Low18 Ų1855 Ų557%0.06829%0.286CS..Hα-helixtrans-66.6-40-177.9-68.8116.3000114.3M501 G522 Q526 F527 L528 Y573 L710M501-W524 HydrophobicContact CE-CH2 3.32Å; M501-W524 HydrophobicContact CE-CZ3 3.24Å; M501-W524 HydrophobicContact SD-CH2 3.56Å; M501-W524 VanDerWaalsContact SD-CH2 3.56Å; M501-W524 HydrophobicContact SD-CZ3 4.08Å; G522-W524 VanDerWaalsContact C-N 3.25Å; G522-W524 PolarHBondContact O-N 3.41Å; W524-Q526 VanDerWaalsContact C-N 3.29Å; W524-Q526 PolarHBondContact O-N 3.36Å; W524-F527 HydrophobicContact CE3-CB 4.4Å; W524-F527 AromaticContact CE3-CD1 3.92Å; W524-F527 HydrophobicContact CE3-CD1 3.92Å; W524-F527 HydrophobicContact CE3-CG 4.32Å; W524-F527 HydrophobicContact CZ3-CD1 4.07Å; W524-F527 HydrophobicContact CZ3-CE1 4.31Å; W524-F527 WeakPolarHBondContact O-CB 3.35Å; W524-F527 PolarHBondContact O-N 3.19Å; W524-L528 WeakPolarHBondContact O-CG 3.42Å; W524-L528 PolarHBondContact O-N 3.04Å; W524-Y573 HydrophobicContact CH2-CD2 4.18Å; W524-Y573 HydrophobicContact CH2-CE2 4.24Å; W524-L710 HydrophobicContact CD2-CB 4.19Å; W524-L710 HydrophobicContact CD2-CD1 3.64Å; W524-L710 HydrophobicContact CE3-CD1 3.67Å; W524-L710 HydrophobicContact CG-CB 4.05Å; W524-L710 HydrophobicContact CG-CD1 4.1Å; W524-L710 HydrophobicContact CH2-CD1 4.28Å; W524-L710 HydrophobicContact CZ2-CD1 4.29Å; W524-L710 HydrophobicContact CZ3-CD1 3.98Å
525D67.2Low60.5Low86 Ų8649.5 Ų49.546%0.4626%0.257SS..Hα-helixtrans-64.9-40174.8-70.5-29.7000110.3G522 L528 Q529 S707G522-D525 PolarHBondContact O-N 2.88Å; D525-L528 PolarHBondContact O-N 3Å; D525-Q529 VanDerWaalsContact O-CG 3.29Å; D525-Q529 WeakPolarHBondContact O-CG 3.37Å; D525-Q529 PolarHBondContact O-N 3.39Å; D525-S707 WeakPolarHBondContact OD1-CB 3.47Å; D525-S707 PolarHBondContact OD1-OG 2.88Å
526Q67.8Low61.4Low73 Ų7353.2 Ų53.234%0.34128%0.277SS..Hα-helixtrans-65.2-41.5174.8-170.259.349.100111.8W497 L523 W524 L528 Q529 D530W497-Q526 HydrophobicContact CZ2-CB 4.38Å; W497-Q526 HydrophobicContact CZ2-CG 4.42Å; L523-Q526 CarbonylContact O-C 3.54Å; L523-Q526 WeakPolarHBondContact O-CB 3.26Å; L523-Q526 PolarHBondContact O-N 2.95Å; W524-Q526 VanDerWaalsContact C-N 3.29Å; W524-Q526 PolarHBondContact O-N 3.36Å; Q526-L528 PolarHBondContact O-N 2.83Å; Q526-Q529 PolarHBondContact O-N 3.44Å; Q526-D530 PolarHBondContact NE2-OD1 3.44Å; Q526-D530 WeakPolarHBondContact O-CB 3.33Å; Q526-D530 VanDerWaalsContact O-CG 3.25Å; Q526-D530 PolarHBondContact O-N 3.46Å
527F69.2Low62.1Low7 Ų752.9 Ų52.93%0.03128%0.278CS..Hα-helixtrans-59-45.9175.7168.9-104.5000111.4W497 M501 L523 W524 Q529 D530 F531 V566 I570W497-F527 HydrophobicContact CB-CD2 3.8Å; W497-F527 HydrophobicContact CB-CE2 3.85Å; W497-F527 AromaticContact CD1-CD2 3.86Å; W497-F527 HydrophobicContact CD2-CB 4.1Å; W497-F527 AromaticContact CD2-CD2 3.57Å; W497-F527 HydrophobicContact CD2-CD2 3.57Å; W497-F527 HydrophobicContact CD2-CE2 4.48Å; W497-F527 HydrophobicContact CD2-CG 4.29Å; W497-F527 HydrophobicContact CE3-CB 4.19Å; W497-F527 AromaticContact CE3-CD2 3.92Å; W497-F527 HydrophobicContact CE3-CD2 3.92Å; W497-F527 HydrophobicContact CE3-CG 4.42Å; W497-F527 AromaticContact CG-CD2 3.5Å; W497-F527 HydrophobicContact CG-CD2 3.5Å; W497-F527 HydrophobicContact CG-CE2 4.07Å; W497-F527 HydrophobicContact CH2-CB 3.83Å; W497-F527 HydrophobicContact CZ2-CB 3.79Å; W497-F527 HydrophobicContact CZ3-CB 4.05Å; M501-F527 HydrophobicContact CE-CE1 4.32Å; M501-F527 HydrophobicContact CE-CE2 4.36Å; M501-F527 HydrophobicContact CE-CZ 4Å; L523-F527 WeakPolarHBondContact O-CB 3.28Å; L523-F527 PolarHBondContact O-N 2.95Å; W524-F527 HydrophobicContact CE3-CB 4.4Å; W524-F527 AromaticContact CE3-CD1 3.92Å; W524-F527 HydrophobicContact CE3-CD1 3.92Å; W524-F527 HydrophobicContact CE3-CG 4.32Å; W524-F527 HydrophobicContact CZ3-CD1 4.07Å; W524-F527 HydrophobicContact CZ3-CE1 4.31Å; W524-F527 WeakPolarHBondContact O-CB 3.35Å; W524-F527 PolarHBondContact O-N 3.19Å; F527-Q529 VanDerWaalsContact C-N 3.33Å; F527-Q529 PolarHBondContact O-N 3.46Å; F527-D530 PolarHBondContact O-N 2.96Å; F527-F531 VanDerWaalsContact O-CB 3.24Å; F527-F531 WeakPolarHBondContact O-CB 3.42Å; F527-F531 PolarHBondContact O-N 2.96Å; F527-V566 HydrophobicContact CE1-CG1 3.89Å; F527-V566 HydrophobicContact CZ-CB 4.4Å; F527-V566 HydrophobicContact CZ-CG1 3.86Å; F527-V566 HydrophobicContact CZ-CG2 3.9Å; F527-I570 HydrophobicContact CE1-CD1 4.29Å; F527-I570 HydrophobicContact CE1-CG1 4.44Å
528L70.3Confident62.6Low11 Ų1151.9 Ų51.96%0.05827%0.269CS..Hα-helixtrans-67.1-35.1177.8-67.4176.3000111.9W524 D525 Q526 K532 I570 I699W524-L528 WeakPolarHBondContact O-CG 3.42Å; W524-L528 PolarHBondContact O-N 3.04Å; D525-L528 PolarHBondContact O-N 3Å; Q526-L528 PolarHBondContact O-N 2.83Å; L528-K532 WeakPolarHBondContact O-CB 3.34Å; L528-K532 PolarHBondContact O-N 3.37Å; L528-I570 HydrophobicContact CD2-CD1 4.3Å; L528-I699 HydrophobicContact CD2-CG2 3.61Å
529Q70.6Confident63.2Low110 Ų11052 Ų5251%0.51427%0.272SS..Hα-helixtrans-68-42.2172.7-73179.219.400112.7D525 Q526 F527 K532 S533D525-Q529 VanDerWaalsContact O-CG 3.29Å; D525-Q529 WeakPolarHBondContact O-CG 3.37Å; D525-Q529 PolarHBondContact O-N 3.39Å; Q526-Q529 PolarHBondContact O-N 3.44Å; F527-Q529 VanDerWaalsContact C-N 3.33Å; F527-Q529 PolarHBondContact O-N 3.46Å; Q529-K532 WeakPolarHBondContact O-CB 3.24Å; Q529-K532 PolarHBondContact O-N 3.08Å; Q529-S533 WeakPolarHBondContact O-CB 3.45Å; Q529-S533 PolarHBondContact O-N 3.19Å; Q529-S533 PolarHBondContact O-OG 3.36Å
530D67.3Low63.7Low10 Ų1058.5 Ų58.55%0.05330%0.3CS..Hα-helixtrans-66.7-42177-72.3-21.5000110.4R493 W497 Q526 F527 K532 S533 L534R493-D530 WeakPolarHBondContact CD-OD2 3.33Å; R493-D530 IonicContact NH1-OD1 2.82Å; R493-D530 PolarHBondContact NH1-OD1 2.89Å; W497-D530 PolarHBondContact NE1-OD2 3.39Å; Q526-D530 PolarHBondContact NE2-OD1 3.44Å; Q526-D530 WeakPolarHBondContact O-CB 3.33Å; Q526-D530 VanDerWaalsContact O-CG 3.25Å; Q526-D530 PolarHBondContact O-N 3.46Å; F527-D530 PolarHBondContact O-N 2.96Å; D530-K532 PolarHBondContact O-N 3.48Å; D530-S533 PolarHBondContact O-N 3.44Å; D530-L534 WeakPolarHBondContact O-CB 3.41Å; D530-L534 PolarHBondContact O-N 3.23Å
531F70.6Confident63.9Low1 Ų154.9 Ų54.90%0.00429%0.291CS..Hα-helixtrans-57.6-46.4173172.7-122.3000111.5F527 S533 L534 L535 V562 V563 V566 I699 H700F527-F531 VanDerWaalsContact O-CB 3.24Å; F527-F531 WeakPolarHBondContact O-CB 3.42Å; F527-F531 PolarHBondContact O-N 2.96Å; F531-S533 PolarHBondContact O-N 3.18Å; F531-L534 PolarHBondContact O-N 3.17Å; F531-L535 HydrophobicContact CD1-CD1 4.02Å; F531-L535 HydrophobicContact CD2-CD1 3.92Å; F531-L535 HydrophobicContact CD2-CG 4.18Å; F531-L535 HydrophobicContact CE1-CD1 3.59Å; F531-L535 HydrophobicContact CE2-CD1 3.46Å; F531-L535 VanDerWaalsContact CE2-CD1 3.46Å; F531-L535 HydrophobicContact CE2-CD2 4.18Å; F531-L535 HydrophobicContact CE2-CG 3.86Å; F531-L535 HydrophobicContact CG-CD1 4.19Å; F531-L535 HydrophobicContact CZ-CD1 3.31Å; F531-L535 HydrophobicContact CZ-CG 4.2Å; F531-L535 WeakPolarHBondContact O-CG 3.26Å; F531-L535 PolarHBondContact O-N 2.99Å; F531-V562 HydrophobicContact CD2-CG1 3.76Å; F531-V562 HydrophobicContact CE2-CB 4.48Å; F531-V562 HydrophobicContact CE2-CG1 3.55Å; F531-V563 HydrophobicContact CE2-CG2 4.41Å; F531-V563 HydrophobicContact CZ-CG2 4.03Å; F531-V566 HydrophobicContact CD1-CG1 4.35Å; F531-V566 HydrophobicContact CD2-CB 4.44Å; F531-V566 HydrophobicContact CD2-CG1 4.44Å; F531-V566 HydrophobicContact CD2-CG2 3.77Å; F531-V566 HydrophobicContact CE1-CG1 4.24Å; F531-V566 HydrophobicContact CE2-CB 4.13Å; F531-V566 HydrophobicContact CE2-CG1 4.33Å; F531-V566 HydrophobicContact CE2-CG2 3.8Å; F531-V566 HydrophobicContact CG-CG1 4.43Å; F531-V566 HydrophobicContact CG-CG2 4.41Å; F531-V566 HydrophobicContact CZ-CB 4.3Å; F531-V566 HydrophobicContact CZ-CG1 4.21Å; F531-V566 HydrophobicContact CZ-CG2 4.44Å; F531-I699 HydrophobicContact CD1-CG2 4.18Å; F531-I699 HydrophobicContact CE1-CB 4.38Å; F531-I699 HydrophobicContact CE1-CD1 4.14Å; F531-I699 HydrophobicContact CE1-CG2 3.9Å; F531-I699 HydrophobicContact CZ-CD1 4.39Å; F531-H700 AromaticContact CD1-CE1 3.98Å
532K71Confident63.5Low115 Ų11557.6 Ų57.650%0.530%0.296SS..Hα-helixtrans-59.8-45.5174.2-171.7175.3179175.50112.1L528 Q529 D530 L534 L535 L536L528-K532 WeakPolarHBondContact O-CB 3.34Å; L528-K532 PolarHBondContact O-N 3.37Å; Q529-K532 WeakPolarHBondContact O-CB 3.24Å; Q529-K532 PolarHBondContact O-N 3.08Å; D530-K532 PolarHBondContact O-N 3.48Å; K532-L534 VanDerWaalsContact C-N 3.32Å; K532-L534 PolarHBondContact O-N 3.03Å; K532-L535 PolarHBondContact O-N 2.95Å; K532-L536 WeakPolarHBondContact O-CG 3.2Å; K532-L536 PolarHBondContact O-N 2.98Å; K532-L536 VanDerWaalsContact O-N 3.07Å
533S66.6Low62.8Low63 Ų6363.3 Ų63.344%0.44132%0.317SS..Hα-helixtrans-63.4-39.9-179.2-58.70000111.7Q529 D530 F531 L536 L537Q529-S533 WeakPolarHBondContact O-CB 3.45Å; Q529-S533 PolarHBondContact O-N 3.19Å; Q529-S533 PolarHBondContact O-OG 3.36Å; D530-S533 PolarHBondContact O-N 3.44Å; F531-S533 PolarHBondContact O-N 3.18Å; S533-L536 PolarHBondContact O-N 3.41Å; S533-L537 PolarHBondContact O-N 3.35Å; S533-L537 VanDerWaalsContact O-N 3.13Å
534L64.7Low61.9Low3 Ų364.2 Ų64.22%0.01632%0.321CS..Hα-helixtrans-66.4-44.6175.3179.578.2000112E491 L494 D530 F531 K532 L536 L537 I538 V562E491-L534 HydrophobicContact CG-CD1 4.38Å; L494-L534 HydrophobicContact CB-CD2 4.21Å; L494-L534 HydrophobicContact CD1-CD2 3.74Å; L494-L534 HydrophobicContact CD2-CD1 4.33Å; L494-L534 HydrophobicContact CD2-CD2 3.23Å; L494-L534 HydrophobicContact CD2-CG 4.39Å; L494-L534 HydrophobicContact CG-CD2 3.86Å; D530-L534 WeakPolarHBondContact O-CB 3.41Å; D530-L534 PolarHBondContact O-N 3.23Å; F531-L534 PolarHBondContact O-N 3.17Å; K532-L534 VanDerWaalsContact C-N 3.32Å; K532-L534 PolarHBondContact O-N 3.03Å; L534-L536 VanDerWaalsContact C-N 3.25Å; L534-L536 PolarHBondContact O-N 2.91Å; L534-L537 CarbonylContact O-C 3.59Å; L534-L537 WeakPolarHBondContact O-CA 3.45Å; L534-L537 VanDerWaalsContact O-CB 3.27Å; L534-L537 WeakPolarHBondContact O-CB 3.37Å; L534-L537 PolarHBondContact O-N 3.37Å; L534-I538 HydrophobicContact CD1-CD1 4.34Å; L534-I538 HydrophobicContact CD2-CD1 4.1Å; L534-I538 HydrophobicContact CG-CD1 3.82Å; L534-I538 HydrophobicContact CG-CG1 4.32Å; L534-I538 WeakPolarHBondContact O-CG1 3.38Å; L534-I538 PolarHBondContact O-N 3.22Å; L534-V562 HydrophobicContact CD2-CG1 3.79Å; L534-V562 HydrophobicContact CD2-CG2 4.14Å
535L67.2Low60.6Low1 Ų170.2 Ų70.21%0.00535%0.347CS..Hα-helixtrans-61.4-37.8178-74.1166.7000111.6F531 K532 L537 I538 N539 R559 V563 E696F531-L535 HydrophobicContact CD1-CD1 4.02Å; F531-L535 HydrophobicContact CD2-CD1 3.92Å; F531-L535 HydrophobicContact CD2-CG 4.18Å; F531-L535 HydrophobicContact CE1-CD1 3.59Å; F531-L535 HydrophobicContact CE2-CD1 3.46Å; F531-L535 VanDerWaalsContact CE2-CD1 3.46Å; F531-L535 HydrophobicContact CE2-CD2 4.18Å; F531-L535 HydrophobicContact CE2-CG 3.86Å; F531-L535 HydrophobicContact CG-CD1 4.19Å; F531-L535 HydrophobicContact CZ-CD1 3.31Å; F531-L535 HydrophobicContact CZ-CG 4.2Å; F531-L535 WeakPolarHBondContact O-CG 3.26Å; F531-L535 PolarHBondContact O-N 2.99Å; K532-L535 PolarHBondContact O-N 2.95Å; L535-L537 VanDerWaalsContact C-N 3.31Å; L535-L537 PolarHBondContact O-N 3.38Å; L535-I538 PolarHBondContact O-N 3.06Å; L535-N539 VanDerWaalsContact O-CB 3.27Å; L535-N539 WeakPolarHBondContact O-CB 3.38Å; L535-N539 PolarHBondContact O-N 2.92Å; L535-N539 PolarHBondContact O-ND2 3.17Å; L535-N539 VanDerWaalsContact O-ND2 3.12Å; L535-R559 HydrophobicContact CD2-CB 4.49Å; L535-R559 HydrophobicContact CD2-CG 3.8Å; L535-V563 HydrophobicContact CD2-CG2 4.17Å; L535-E696 HydrophobicContact CD1-CB 4.49Å; L535-E696 VanDerWaalsContact CD1-CD 3.42Å; L535-E696 HydrophobicContact CD1-CG 3.56Å
536L66.3Low59.3Low95 Ų9566.9 Ų66.950%0.49733%0.329SS..Hα-helixtrans-60.8-40.1171.3-70.8169.8000112.1K532 S533 L534 Q540K532-L536 WeakPolarHBondContact O-CG 3.2Å; K532-L536 PolarHBondContact O-N 2.98Å; K532-L536 VanDerWaalsContact O-N 3.07Å; S533-L536 PolarHBondContact O-N 3.41Å; L534-L536 VanDerWaalsContact C-N 3.25Å; L534-L536 PolarHBondContact O-N 2.91Å; L536-Q540 VanDerWaalsContact O-CG 3.31Å; L536-Q540 WeakPolarHBondContact O-CG 3.15Å; L536-Q540 PolarHBondContact O-N 2.8Å
537L59.8Low57.6Low56 Ų5665.1 Ų65.129%0.29333%0.325SS..Hα-helixtrans-64.9-48.8176-165.3101.5000111.6N488 E491 S533 L534 L535 N539 Q540 S541N488-L537 WeakPolarHBondContact ND2-CD1 3.31Å; E491-L537 HydrophobicContact CG-CD2 4.47Å; S533-L537 PolarHBondContact O-N 3.35Å; S533-L537 VanDerWaalsContact O-N 3.13Å; L534-L537 CarbonylContact O-C 3.59Å; L534-L537 WeakPolarHBondContact O-CA 3.45Å; L534-L537 VanDerWaalsContact O-CB 3.27Å; L534-L537 WeakPolarHBondContact O-CB 3.37Å; L534-L537 PolarHBondContact O-N 3.37Å; L535-L537 VanDerWaalsContact C-N 3.31Å; L535-L537 PolarHBondContact O-N 3.38Å; L537-N539 VanDerWaalsContact C-N 3.27Å; L537-N539 PolarHBondContact O-N 3.17Å; L537-Q540 WeakPolarHBondContact O-CB 3.47Å; L537-Q540 PolarHBondContact O-N 2.84Å; L537-Q540 VanDerWaalsContact O-N 3.11Å; L537-S541 PolarHBondContact O-N 2.77Å
538I60Low56Low20 Ų2065.4 Ų65.410%0.10333%0.326CS..Hα-helixtrans-62.7-35.4178.6-65.9170.8000111L534 L535 Q540 S541 R559 V562L534-I538 HydrophobicContact CD1-CD1 4.34Å; L534-I538 HydrophobicContact CD2-CD1 4.1Å; L534-I538 HydrophobicContact CG-CD1 3.82Å; L534-I538 HydrophobicContact CG-CG1 4.32Å; L534-I538 WeakPolarHBondContact O-CG1 3.38Å; L534-I538 PolarHBondContact O-N 3.22Å; L535-I538 PolarHBondContact O-N 3.06Å; I538-Q540 VanDerWaalsContact C-N 3.32Å; I538-Q540 PolarHBondContact O-N 2.88Å; I538-S541 PolarHBondContact O-N 3.37Å; I538-S541 PolarHBondContact O-OG 3.24Å; I538-R559 HydrophobicContact CG2-CB 4.05Å; I538-V562 HydrophobicContact CD1-CG2 3.83Å
539N62Low54.1Low77 Ų7770.3 Ų70.341%0.41235%0.349SS..Hα-helixtrans-71.6-25.8177.2-74.3-26.5000113L535 L537L535-N539 VanDerWaalsContact O-CB 3.27Å; L535-N539 WeakPolarHBondContact O-CB 3.38Å; L535-N539 PolarHBondContact O-N 2.92Å; L535-N539 PolarHBondContact O-ND2 3.17Å; L535-N539 VanDerWaalsContact O-ND2 3.12Å; L537-N539 VanDerWaalsContact C-N 3.27Å; L537-N539 PolarHBondContact O-N 3.17Å
540Q55Low52.1Low155 Ų15570.5 Ų70.572%0.72435%0.353SS*.Hα-helixtrans-74.6-29.2174.2-72171.319.600111.7L536 L537 I538 K542L536-Q540 VanDerWaalsContact O-CG 3.31Å; L536-Q540 WeakPolarHBondContact O-CG 3.15Å; L536-Q540 PolarHBondContact O-N 2.8Å; L537-Q540 WeakPolarHBondContact O-CB 3.47Å; L537-Q540 PolarHBondContact O-N 2.84Å; L537-Q540 VanDerWaalsContact O-N 3.11Å; I538-Q540 VanDerWaalsContact C-N 3.32Å; I538-Q540 PolarHBondContact O-N 2.88Å; Q540-K542 VanDerWaalsContact C-N 3.29Å; Q540-K542 PolarHBondContact O-N 3.31Å
541S50.9Low50.4Low33 Ų3376.1 Ų76.123%0.23138%0.382CS..  trans-83.564.3178.768.90000111.9L537 I538 D543 E544L537-S541 PolarHBondContact O-N 2.77Å; I538-S541 PolarHBondContact O-N 3.37Å; I538-S541 PolarHBondContact O-OG 3.24Å; S541-D543 PolarHBondContact O-N 2.95Å; S541-D543 VanDerWaalsContact O-N 3.11Å; S541-E544 PolarHBondContact O-N 3.43Å; S541-E544 PolarHBondContact OG-O 2.91Å; S541-E544 VanDerWaalsContact OG-O 3.12Å
542K45.4Very low48.8Very low193 Ų19378.1 Ų78.184%0.83940%0.396SS*.SBendtrans-54.6-30.6-179.9-79.6-172.6176.5-179.30114.2Q540Q540-K542 VanDerWaalsContact C-N 3.29Å; Q540-K542 PolarHBondContact O-N 3.31Å
543D40.6Very low47.1Very low160 Ų16074.5 Ų74.586%0.85638%0.384SS*.SBendtrans-106.1-11.4-176.3-65.8-44.5000113.6S541S541-D543 PolarHBondContact O-N 2.95Å; S541-D543 VanDerWaalsContact O-N 3.11Å
544E39.6Very low46Very low62 Ų6272.6 Ų72.629%0.2937%0.369SS..  trans-114.892.3-174.5-73.8175.317700109.1P363 V365 S541 I546P363-E544 WeakPolarHBondContact CB-OE2 3.38Å; P363-E544 WeakPolarHBondContact CG-OE2 3.36Å; V365-E544 HydrophobicContact CG2-CB 3.75Å; V365-E544 HydrophobicContact CG2-CG 3.78Å; V365-E544 WeakPolarHBondContact CG2-OE2 3.48Å; S541-E544 PolarHBondContact O-N 3.43Å; S541-E544 PolarHBondContact OG-O 2.91Å; S541-E544 VanDerWaalsContact OG-O 3.12Å; E544-I546 PolarHBondContact O-N 3.28Å
545K40.5Very low44.8Very low143 Ų14374.2 Ų74.262%0.62238%0.379SS*.  trans-57.6131.9152.6-65.6177-177.8-178.80105.9C547K545-C547 HydrophobicContact CB-CB 4.03Å; K545-C547 VanDerWaalsContact CB-SG 3.56Å; K545-C547 VanDerWaalsContact O-CB 3.32Å; K545-C547 WeakPolarHBondContact O-CB 3.37Å; K545-C547 PolarHBondContact O-N 3.14Å
546I40.3Very low43.9Very low16 Ų1675.4 Ų75.48%0.08239%0.387CS..  trans-65.485.8158.7-59.8178.1000105.5V365 L366 E544 I548 P556 F557V365-I546 HydrophobicContact CG1-CB 4.42Å; V365-I546 HydrophobicContact CG1-CG1 4.39Å; V365-I546 HydrophobicContact CG1-CG2 4.42Å; L366-I546 WeakPolarHBondContact O-CG2 3.22Å; E544-I546 PolarHBondContact O-N 3.28Å; I546-I548 PolarHBondContact O-N 3.17Å; I546-P556 WeakPolarHBondContact O-CA 3.36Å; I546-P556 WeakPolarHBondContact O-CB 3.49Å; I546-F557 HydrophobicContact CB-CB 4.21Å; I546-F557 HydrophobicContact CD1-CB 4.21Å; I546-F557 HydrophobicContact CG2-CB 4.36Å; I546-F557 PolarHBondContact O-N 2.96Å
547C31.6Very low43.2Very low37 Ų3771.8 Ų71.825%0.2537%0.367CS..  trans-89.974.6-153.8-132.20000109.1Y367 K545 Q549Y367-C547 WeakPolarHBondContact CD1-O 3.17Å; Y367-C547 HydrophobicContact CE1-CB 4.18Å; Y367-C547 WeakPolarHBondContact CE1-O 3.41Å; K545-C547 HydrophobicContact CB-CB 4.03Å; K545-C547 VanDerWaalsContact CB-SG 3.56Å; K545-C547 VanDerWaalsContact O-CB 3.32Å; K545-C547 WeakPolarHBondContact O-CB 3.37Å; K545-C547 PolarHBondContact O-N 3.14Å; C547-Q549 WeakPolarHBondContact O-CG 3.5Å; C547-Q549 PolarHBondContact O-N 3.21Å
548I36.1Very low42.9Very low13 Ų1370.6 Ų70.67%0.06736%0.362CS..  trans-81.1105.3169-50.1148.8000106.5L368 I546 N550 L554 V555 P556L368-I548 WeakPolarHBondContact O-CD1 3.5Å; L368-I548 WeakPolarHBondContact O-CG1 3.24Å; I546-I548 PolarHBondContact O-N 3.17Å; I548-N550 PolarHBondContact O-N 3.48Å; I548-L554 HydrophobicContact CG2-CB 3.37Å; I548-L554 HydrophobicContact CG2-CD1 4.22Å; I548-L554 HydrophobicContact CG2-CG 4.49Å; I548-L554 VanDerWaalsContact CG2-O 3.29Å; I548-L554 WeakPolarHBondContact CG2-O 3.39Å; I548-V555 VanDerWaalsContact CD1-O 3.31Å; I548-V555 WeakPolarHBondContact CD1-O 3.44Å; I548-P556 VanDerWaalsContact O-CD 3.22Å; I548-P556 WeakPolarHBondContact O-CD 2.99Å
549Q30.7Very low43Very low114 Ų11471.9 Ų71.953%0.53337%0.366SS..  trans-72.2102.8-152.6-66.9173.2-11.800112.9C547C547-Q549 WeakPolarHBondContact O-CG 3.5Å; C547-Q549 PolarHBondContact O-N 3.21Å
550N28.8Very low43.1Very low113 Ų11372.6 Ų72.660%0.60437%0.366SS*.SBendtrans69.2110.2141.8-59.5-27.2000118.1I548I548-N550 PolarHBondContact O-N 3.48Å
551I31.5Very low43.3Very low129 Ų12965.9 Ų65.966%0.66234%0.337SS*.SBendtrans101.6-44.9144.7-57.2159.4000116.9F386F386-I551 HydrophobicContact CD2-CG2 4.19Å; F386-I551 HydrophobicContact CE2-CG2 4.45Å
552C35.6Very low44.1Very low43 Ų4364.4 Ų64.429%0.29133%0.326SS..SBendtrans170.4133.1171.9-109.80000105.6
553P36.1Very low45.3Very low38 Ų3855.2 Ų55.225%0.24729%0.286CS..SBendcis-121.630.816.441.1-28.6000114.2N371 M391N371-P553 VanDerWaalsContact CA-O 3.26Å; N371-P553 WeakPolarHBondContact CA-O 3.47Å; M391-P553 HydrophobicContact CE-CG 3.82Å
554L43.1Very low46.8Very low24 Ų2448.1 Ų48.113%0.12625%0.248CC..SBendtrans-131.196.5-178.5-53.4177000110.7P369 I370 N371 M391 I548P369-L554 VanDerWaalsContact CA-CD2 3.45Å; P369-L554 HydrophobicContact CB-CD1 3.41Å; P369-L554 VanDerWaalsContact CB-CD1 3.41Å; P369-L554 HydrophobicContact CB-CD2 3.66Å; P369-L554 HydrophobicContact CB-CG 4.1Å; P369-L554 WeakPolarHBondContact O-CD2 3.31Å; I370-L554 WeakPolarHBondContact O-CA 3.33Å; N371-L554 HydrophobicContact CB-CD2 4.48Å; M391-L554 HydrophobicContact CE-CD2 4.48Å; M391-L554 HydrophobicContact CG-CD1 3.65Å; M391-L554 HydrophobicContact CG-CG 4.18Å; M391-L554 HydrophobicContact SD-CD1 3.26Å; M391-L554 WeakPolarHBondContact SD-CD1 3.42Å; M391-L554 HydrophobicContact SD-CD2 3.95Å; M391-L554 HydrophobicContact SD-CG 3.72Å; I548-L554 HydrophobicContact CG2-CB 3.37Å; I548-L554 HydrophobicContact CG2-CD1 4.22Å; I548-L554 HydrophobicContact CG2-CG 4.49Å; I548-L554 VanDerWaalsContact CG2-O 3.29Å; I548-L554 WeakPolarHBondContact CG2-O 3.39Å
555V40.3Very low48.2Very low37 Ų3745.5 Ų45.522%0.22424%0.236CC..  trans-76.3129.4-166.61740000111.1I370 L372 I548 F557 C561I370-V555 PolarHBondContact O-N 3.1Å; L372-V555 HydrophobicContact CB-CG2 4.29Å; L372-V555 HydrophobicContact CD1-CB 3.48Å; L372-V555 VanDerWaalsContact CD1-CB 3.48Å; L372-V555 HydrophobicContact CD1-CG1 3.66Å; L372-V555 HydrophobicContact CD1-CG2 3.48Å; L372-V555 VanDerWaalsContact CD1-CG2 3.48Å; L372-V555 HydrophobicContact CG-CB 3.89Å; L372-V555 HydrophobicContact CG-CG2 3.81Å; I548-V555 VanDerWaalsContact CD1-O 3.31Å; I548-V555 WeakPolarHBondContact CD1-O 3.44Å; V555-F557 PolarHBondContact O-N 3.36Å; V555-C561 HydrophobicContact CG1-CB 3.57Å; V555-C561 WeakPolarHBondContact CG1-SG 3.3Å
556P47.6Very low49.8Very low26 Ų2638.9 Ų38.917%0.16921%0.208CC..  trans-62.4134.5171.725.5-29.7000109I546 I548 T558 C561I546-P556 WeakPolarHBondContact O-CA 3.36Å; I546-P556 WeakPolarHBondContact O-CB 3.49Å; I548-P556 VanDerWaalsContact O-CD 3.22Å; I548-P556 WeakPolarHBondContact O-CD 2.99Å; P556-T558 HydrophobicContact CB-CG2 4.04Å; P556-T558 HydrophobicContact CG-CG2 4.01Å; P556-T558 PolarHBondContact O-N 3.42Å; P556-C561 WeakPolarHBondContact O-CB 3.26Å; P556-C561 PolarHBondContact O-SG 2.68Å
557F51.5Low51.6Low18 Ų1838.1 Ų38.18%0.07920%0.204CC..  trans-70.767.8168.7-77.8-59.8000110.1I370 L494 I498 I546 V555 V562I370-F557 HydrophobicContact CD1-CD2 4.47Å; I370-F557 HydrophobicContact CD1-CE2 3.28Å; I370-F557 HydrophobicContact CD1-CZ 3.32Å; I370-F557 HydrophobicContact CG1-CE2 4.49Å; L494-F557 HydrophobicContact CD2-CD1 4.05Å; L494-F557 HydrophobicContact CD2-CE1 3.76Å; L494-F557 HydrophobicContact CD2-CE2 4.24Å; L494-F557 HydrophobicContact CD2-CG 4.42Å; L494-F557 HydrophobicContact CD2-CZ 3.86Å; I498-F557 HydrophobicContact CD1-CE1 3.32Å; I498-F557 HydrophobicContact CD1-CZ 3.23Å; I546-F557 HydrophobicContact CB-CB 4.21Å; I546-F557 HydrophobicContact CD1-CB 4.21Å; I546-F557 HydrophobicContact CG2-CB 4.36Å; I546-F557 PolarHBondContact O-N 2.96Å; V555-F557 PolarHBondContact O-N 3.36Å; F557-V562 HydrophobicContact CB-CG2 4.07Å; F557-V562 HydrophobicContact CD1-CG2 3.58Å; F557-V562 HydrophobicContact CE1-CG2 4.45Å; F557-V562 HydrophobicContact CG-CG2 4.23Å
558T53.6Low53.6Low32 Ų3236.6 Ų36.620%0.19619%0.193CC..  trans-73153.3161.167.70000107.9P556 Q560 C561 V562P556-T558 HydrophobicContact CB-CG2 4.04Å; P556-T558 HydrophobicContact CG-CG2 4.01Å; P556-T558 PolarHBondContact O-N 3.42Å; T558-Q560 PolarHBondContact O-N 2.93Å; T558-Q560 VanDerWaalsContact O-N 3.16Å; T558-C561 PolarHBondContact O-N 3.28Å; T558-C561 PolarHBondContact OG1-N 2.93Å; T558-C561 PolarHBondContact OG1-SG 3.3Å; T558-V562 PolarHBondContact O-N 3.38Å
559R62.4Low55.3Low47 Ų4736.8 Ų36.818%0.17719%0.194CC..Hα-helixtrans-45.4-46.5171.5174.8169.2178.8-102.816.2112.1L535 I538 C561 V562 V563 D692 S693 E696L535-R559 HydrophobicContact CD2-CB 4.49Å; L535-R559 HydrophobicContact CD2-CG 3.8Å; I538-R559 HydrophobicContact CG2-CB 4.05Å; R559-C561 PolarHBondContact O-N 3Å; R559-V562 PolarHBondContact O-N 3.19Å; R559-V563 HydrophobicContact CG-CG2 4.34Å; R559-V563 WeakPolarHBondContact O-CB 3.4Å; R559-V563 VanDerWaalsContact O-CG2 3.22Å; R559-V563 WeakPolarHBondContact O-CG2 3.41Å; R559-V563 PolarHBondContact O-N 2.87Å; R559-D692 IonicContact CZ-OD2 3.35Å; R559-D692 VanDerWaalsContact NH1-CG 3.33Å; R559-D692 IonicContact NH1-OD1 3.62Å; R559-D692 IonicContact NH1-OD2 2.87Å; R559-D692 PolarHBondContact NH1-OD2 3.44Å; R559-S693 VanDerWaalsContact CZ-OG 3.27Å; R559-S693 PolarHBondContact NH1-OG 3.37Å; R559-S693 VanDerWaalsContact NH2-CB 3.33Å; R559-S693 PolarHBondContact NH2-OG 3.47Å; R559-E696 IonicContact CZ-OE2 3.53Å; R559-E696 IonicContact NE-OE2 3.58Å; R559-E696 PolarHBondContact NE-OE2 2.95Å; R559-E696 IonicContact NH2-OE2 3.8Å; R559-E696 PolarHBondContact NH2-OE2 3.36Å
560Q63Low57.6Low91 Ų9131.4 Ų31.443%0.42517%0.169SC..Hα-helixtrans-55.3-47.8176.4-75.1178.3-5.800112.9T558 F564 F604 D692T558-Q560 PolarHBondContact O-N 2.93Å; T558-Q560 VanDerWaalsContact O-N 3.16Å; Q560-F564 WeakPolarHBondContact O-CB 3.41Å; Q560-F564 PolarHBondContact O-N 3.42Å; Q560-F604 HydrophobicContact CB-CE1 3.82Å; Q560-F604 HydrophobicContact CB-CZ 3.95Å; Q560-F604 HydrophobicContact CG-CE1 4.12Å; Q560-F604 HydrophobicContact CG-CZ 4.18Å; Q560-D692 HydrophobicContact CB-CB 4.37Å; Q560-D692 HydrophobicContact CG-CB 3.82Å; Q560-D692 VanDerWaalsContact CG-CG 3.4Å; Q560-D692 VanDerWaalsContact CG-OD2 3.24Å; Q560-D692 WeakPolarHBondContact CG-OD2 2.9Å
561C60.7Low60Low15 Ų1526 Ų2610%0.10114%0.141CC..Hα-helixtrans-69.9-40.3-179.2-62.90000112.6V555 P556 T558 R559 F564 V565V555-C561 HydrophobicContact CG1-CB 3.57Å; V555-C561 WeakPolarHBondContact CG1-SG 3.3Å; P556-C561 WeakPolarHBondContact O-CB 3.26Å; P556-C561 PolarHBondContact O-SG 2.68Å; T558-C561 PolarHBondContact O-N 3.28Å; T558-C561 PolarHBondContact OG1-N 2.93Å; T558-C561 PolarHBondContact OG1-SG 3.3Å; R559-C561 PolarHBondContact O-N 3Å; C561-F564 WeakPolarHBondContact O-CB 3.41Å; C561-F564 PolarHBondContact O-N 3.05Å; C561-V565 WeakPolarHBondContact O-CB 3.44Å; C561-V565 VanDerWaalsContact O-CG2 3.26Å; C561-V565 WeakPolarHBondContact O-CG2 3.26Å; C561-V565 PolarHBondContact O-N 3.25Å
562V66.5Low62Low2 Ų222 Ų221%0.01212%0.124CC..Hα-helixtrans-62.5-50.4175.5-176.30000109.5L494 F531 L534 I538 F557 T558 R559 F564 V565 V566L494-V562 HydrophobicContact CD1-CG1 4.38Å; F531-V562 HydrophobicContact CD2-CG1 3.76Å; F531-V562 HydrophobicContact CE2-CB 4.48Å; F531-V562 HydrophobicContact CE2-CG1 3.55Å; L534-V562 HydrophobicContact CD2-CG1 3.79Å; L534-V562 HydrophobicContact CD2-CG2 4.14Å; I538-V562 HydrophobicContact CD1-CG2 3.83Å; F557-V562 HydrophobicContact CB-CG2 4.07Å; F557-V562 HydrophobicContact CD1-CG2 3.58Å; F557-V562 HydrophobicContact CE1-CG2 4.45Å; F557-V562 HydrophobicContact CG-CG2 4.23Å; T558-V562 PolarHBondContact O-N 3.38Å; R559-V562 PolarHBondContact O-N 3.19Å; V562-F564 VanDerWaalsContact C-N 3.26Å; V562-F564 PolarHBondContact O-N 3.35Å; V562-V565 PolarHBondContact O-N 3.36Å; V562-V566 HydrophobicContact CG1-CG2 4.16Å; V562-V566 WeakPolarHBondContact O-CB 3.41Å; V562-V566 VanDerWaalsContact O-CG2 3.26Å; V562-V566 WeakPolarHBondContact O-CG2 3.46Å; V562-V566 PolarHBondContact O-N 2.92Å
563V71.4Confident63.8Low0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-58.8-41.8177.71750000110.4F531 L535 R559 S567 D692 L695 E696F531-V563 HydrophobicContact CE2-CG2 4.41Å; F531-V563 HydrophobicContact CZ-CG2 4.03Å; L535-V563 HydrophobicContact CD2-CG2 4.17Å; R559-V563 HydrophobicContact CG-CG2 4.34Å; R559-V563 WeakPolarHBondContact O-CB 3.4Å; R559-V563 VanDerWaalsContact O-CG2 3.22Å; R559-V563 WeakPolarHBondContact O-CG2 3.41Å; R559-V563 PolarHBondContact O-N 2.87Å; V563-S567 WeakPolarHBondContact O-CB 3.23Å; V563-S567 PolarHBondContact O-N 3.48Å; V563-S567 PolarHBondContact O-OG 3.04Å; V563-D692 HydrophobicContact CB-CB 4.26Å; V563-D692 HydrophobicContact CG1-CB 4.35Å; V563-D692 HydrophobicContact CG2-CB 4.41Å; V563-L695 HydrophobicContact CG1-CB 3.69Å; V563-L695 HydrophobicContact CG1-CD1 4.49Å; V563-E696 HydrophobicContact CG2-CB 4.09Å
564F71.3Confident65.9Low10 Ų1019.6 Ų19.64%0.04410%0.104CC..Hα-helixtrans-58.8-52.2176178-87.2000112.1F376 Q560 C561 V562 S567 K568 V600 F604 I607F376-F564 HydrophobicContact CE2-CD1 4.45Å; F376-F564 HydrophobicContact CE2-CE1 4.07Å; F376-F564 HydrophobicContact CZ-CD1 4.47Å; F376-F564 HydrophobicContact CZ-CE1 4.27Å; Q560-F564 WeakPolarHBondContact O-CB 3.41Å; Q560-F564 PolarHBondContact O-N 3.42Å; C561-F564 WeakPolarHBondContact O-CB 3.41Å; C561-F564 PolarHBondContact O-N 3.05Å; V562-F564 VanDerWaalsContact C-N 3.26Å; V562-F564 PolarHBondContact O-N 3.35Å; F564-S567 PolarHBondContact O-N 2.79Å; F564-K568 HydrophobicContact CD1-CD 4.38Å; F564-K568 HydrophobicContact CE1-CD 3.67Å; F564-K568 HydrophobicContact CE1-CG 4.25Å; F564-K568 HydrophobicContact CE2-CD 4.33Å; F564-K568 HydrophobicContact CZ-CD 3.65Å; F564-K568 HydrophobicContact CZ-CG 4.33Å; F564-K568 WeakPolarHBondContact O-CB 3.32Å; F564-K568 WeakPolarHBondContact O-CG 3.42Å; F564-K568 PolarHBondContact O-N 2.96Å; F564-V600 HydrophobicContact CB-CG2 4.3Å; F564-V600 HydrophobicContact CD2-CG1 4.32Å; F564-V600 HydrophobicContact CD2-CG2 3.53Å; F564-V600 HydrophobicContact CE2-CG1 4.34Å; F564-V600 HydrophobicContact CE2-CG2 4.25Å; F564-V600 HydrophobicContact CG-CG2 4.25Å; F564-F604 HydrophobicContact CD2-CB 4.23Å; F564-F604 AromaticContact CD2-CD2 3.67Å; F564-F604 HydrophobicContact CD2-CD2 3.67Å; F564-F604 HydrophobicContact CD2-CE2 4.21Å; F564-F604 HydrophobicContact CD2-CG 4Å; F564-F604 HydrophobicContact CE2-CB 4.13Å; F564-F604 HydrophobicContact CE2-CD2 4.31Å; F564-F604 HydrophobicContact CE2-CG 4.41Å; F564-I607 HydrophobicContact CZ-CG2 4.45Å
565V69.4Low67.5Low7 Ų718.6 Ų18.64%0.04210%0.099CC..Hα-helixtrans-61.3-50.3-178.81710000110.3L372 F376 I498 C561 V562 S567 K568 T569L372-V565 HydrophobicContact CD1-CG2 3.72Å; L372-V565 HydrophobicContact CD2-CG2 3.93Å; F376-V565 HydrophobicContact CE2-CG2 4.03Å; F376-V565 HydrophobicContact CZ-CB 4.26Å; F376-V565 HydrophobicContact CZ-CG1 4.23Å; F376-V565 HydrophobicContact CZ-CG2 3.95Å; I498-V565 HydrophobicContact CG1-CG1 4.44Å; C561-V565 WeakPolarHBondContact O-CB 3.44Å; C561-V565 VanDerWaalsContact O-CG2 3.26Å; C561-V565 WeakPolarHBondContact O-CG2 3.26Å; C561-V565 PolarHBondContact O-N 3.25Å; V562-V565 PolarHBondContact O-N 3.36Å; V565-S567 PolarHBondContact O-N 2.92Å; V565-K568 PolarHBondContact O-N 3.5Å; V565-T569 WeakPolarHBondContact O-CB 3.48Å; V565-T569 PolarHBondContact O-N 3.05Å; V565-T569 PolarHBondContact O-OG1 3.2Å
566V74.6Confident69.2Low5 Ų519.1 Ų19.13%0.0310%0.103CC..Hα-helixtrans-61.4-46.4-179.6173.20000111F527 F531 V562 K568 T569 I570 I699F527-V566 HydrophobicContact CE1-CG1 3.89Å; F527-V566 HydrophobicContact CZ-CB 4.4Å; F527-V566 HydrophobicContact CZ-CG1 3.86Å; F527-V566 HydrophobicContact CZ-CG2 3.9Å; F531-V566 HydrophobicContact CD1-CG1 4.35Å; F531-V566 HydrophobicContact CD2-CB 4.44Å; F531-V566 HydrophobicContact CD2-CG1 4.44Å; F531-V566 HydrophobicContact CD2-CG2 3.77Å; F531-V566 HydrophobicContact CE1-CG1 4.24Å; F531-V566 HydrophobicContact CE2-CB 4.13Å; F531-V566 HydrophobicContact CE2-CG1 4.33Å; F531-V566 HydrophobicContact CE2-CG2 3.8Å; F531-V566 HydrophobicContact CG-CG1 4.43Å; F531-V566 HydrophobicContact CG-CG2 4.41Å; F531-V566 HydrophobicContact CZ-CB 4.3Å; F531-V566 HydrophobicContact CZ-CG1 4.21Å; F531-V566 HydrophobicContact CZ-CG2 4.44Å; V562-V566 HydrophobicContact CG1-CG2 4.16Å; V562-V566 WeakPolarHBondContact O-CB 3.41Å; V562-V566 VanDerWaalsContact O-CG2 3.26Å; V562-V566 WeakPolarHBondContact O-CG2 3.46Å; V562-V566 PolarHBondContact O-N 2.92Å; V566-K568 VanDerWaalsContact C-N 3.34Å; V566-K568 PolarHBondContact O-N 3.19Å; V566-T569 PolarHBondContact O-N 3.34Å; V566-I570 HydrophobicContact CG1-CD1 3.58Å; V566-I570 HydrophobicContact CG1-CG1 4.31Å; V566-I570 WeakPolarHBondContact O-CB 3.33Å; V566-I570 VanDerWaalsContact O-CG1 3.26Å; V566-I570 WeakPolarHBondContact O-CG1 3.45Å; V566-I570 PolarHBondContact O-N 3.38Å; V566-I699 HydrophobicContact CG1-CD1 4.13Å
567S78.4Confident70.6Confident0 Ų018.1 Ų18.10%010%0.096CC..Hα-helixtrans-59.3-47177.9-59.60000110.8V563 F564 V565 A571V563-S567 WeakPolarHBondContact O-CB 3.23Å; V563-S567 PolarHBondContact O-N 3.48Å; V563-S567 PolarHBondContact O-OG 3.04Å; F564-S567 PolarHBondContact O-N 2.79Å; V565-S567 PolarHBondContact O-N 2.92Å; S567-A571 WeakPolarHBondContact O-CB 3.42Å; S567-A571 PolarHBondContact O-N 3.46Å
568K73.9Confident72Confident4 Ų417.5 Ų17.52%0.0179%0.093CC..Hα-helixtrans-62.2-47.3178.4-80-153.1168.7-171.20111.7F376 F564 V565 V566 I570 A571 S572 V600 D601 W614F376-K568 HydrophobicContact CD1-CB 4.41Å; F376-K568 HydrophobicContact CD1-CD 3.87Å; F376-K568 HydrophobicContact CE1-CB 3.56Å; F376-K568 HydrophobicContact CE1-CD 3.68Å; F376-K568 HydrophobicContact CE1-CG 4.19Å; F376-K568 HydrophobicContact CZ-CB 4.17Å; F376-K568 HydrophobicContact CZ-CD 4.26Å; F564-K568 HydrophobicContact CD1-CD 4.38Å; F564-K568 HydrophobicContact CE1-CD 3.67Å; F564-K568 HydrophobicContact CE1-CG 4.25Å; F564-K568 HydrophobicContact CE2-CD 4.33Å; F564-K568 HydrophobicContact CZ-CD 3.65Å; F564-K568 HydrophobicContact CZ-CG 4.33Å; F564-K568 WeakPolarHBondContact O-CB 3.32Å; F564-K568 WeakPolarHBondContact O-CG 3.42Å; F564-K568 PolarHBondContact O-N 2.96Å; V565-K568 PolarHBondContact O-N 3.5Å; V566-K568 VanDerWaalsContact C-N 3.34Å; V566-K568 PolarHBondContact O-N 3.19Å; K568-I570 PolarHBondContact O-N 3.19Å; K568-A571 PolarHBondContact O-N 3.37Å; K568-S572 PolarHBondContact O-N 2.71Å; K568-V600 HydrophobicContact CG-CG1 4.03Å; K568-D601 WeakPolarHBondContact CE-OD1 3.31Å; K568-D601 IonicContact NZ-OD1 3.98Å; K568-D601 PolarHBondContact NZ-OD1 3.27Å; K568-W614 HydrophobicContact CB-CH2 3.69Å; K568-W614 HydrophobicContact CB-CZ2 4.32Å; K568-W614 HydrophobicContact CB-CZ3 3.77Å; K568-W614 HydrophobicContact CD-CD2 4.43Å; K568-W614 HydrophobicContact CD-CE3 4.3Å; K568-W614 HydrophobicContact CD-CH2 4.35Å; K568-W614 HydrophobicContact CD-CZ2 4.36Å; K568-W614 HydrophobicContact CD-CZ3 4.26Å; K568-W614 HydrophobicContact CG-CH2 3.81Å; K568-W614 HydrophobicContact CG-CZ2 3.93Å; K568-W614 HydrophobicContact CG-CZ3 4.1Å; K568-W614 WeakPolarHBondContact O-CH2 3.46Å; K568-W614 WeakPolarHBondContact O-CZ3 3.48Å
569T71.3Confident73Confident17 Ų1722 Ų2210%0.10411%0.107CC..Hα-helixtrans-63.5-45.8-177.3-540000111.5M501 V565 V566 A571 S572 Y573M501-T569 HydrophobicContact CB-CG2 3.89Å; M501-T569 HydrophobicContact CE-CG2 3.16Å; M501-T569 HydrophobicContact CG-CG2 3.83Å; M501-T569 HydrophobicContact SD-CG2 3.33Å; M501-T569 WeakPolarHBondContact SD-CG2 3.47Å; V565-T569 WeakPolarHBondContact O-CB 3.48Å; V565-T569 PolarHBondContact O-N 3.05Å; V565-T569 PolarHBondContact O-OG1 3.2Å; V566-T569 PolarHBondContact O-N 3.34Å; T569-A571 PolarHBondContact O-N 3.12Å; T569-S572 PolarHBondContact O-N 3.4Å; T569-Y573 HydrophobicContact CG2-CD2 4.07Å; T569-Y573 HydrophobicContact CG2-CE2 3.58Å; T569-Y573 WeakPolarHBondContact O-CD2 3.36Å; T569-Y573 PolarHBondContact O-N 2.86Å
570I77.7Confident73.7Confident1 Ų126.7 Ų26.71%0.00513%0.131CC..Hα-helixtrans-60.3-48.1176.8-65169.5000110.4F527 L528 V566 K568 S572 Y573 L574 L597 I699 I706F527-I570 HydrophobicContact CE1-CD1 4.29Å; F527-I570 HydrophobicContact CE1-CG1 4.44Å; L528-I570 HydrophobicContact CD2-CD1 4.3Å; V566-I570 HydrophobicContact CG1-CD1 3.58Å; V566-I570 HydrophobicContact CG1-CG1 4.31Å; V566-I570 WeakPolarHBondContact O-CB 3.33Å; V566-I570 VanDerWaalsContact O-CG1 3.26Å; V566-I570 WeakPolarHBondContact O-CG1 3.45Å; V566-I570 PolarHBondContact O-N 3.38Å; K568-I570 PolarHBondContact O-N 3.19Å; I570-S572 VanDerWaalsContact C-N 3.35Å; I570-S572 PolarHBondContact O-N 3.29Å; I570-Y573 PolarHBondContact O-N 2.71Å; I570-L574 HydrophobicContact CG2-CD1 3.57Å; I570-L574 HydrophobicContact CG2-CG 4.05Å; I570-L574 VanDerWaalsContact O-CG 3.28Å; I570-L574 WeakPolarHBondContact O-CG 3.24Å; I570-L574 PolarHBondContact O-N 2.98Å; I570-L597 HydrophobicContact CB-CD1 3.84Å; I570-L597 HydrophobicContact CG2-CD1 3.39Å; I570-I699 HydrophobicContact CD1-CG2 4.39Å; I570-I706 HydrophobicContact CD1-CG2 4.45Å; I570-I706 HydrophobicContact CG2-CG2 3.72Å
571A80.1Confident74.5Confident0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-58.7-42.8179.600000112.8S567 K568 T569 Y573 L574 C575 A594 L597 W614S567-A571 WeakPolarHBondContact O-CB 3.42Å; S567-A571 PolarHBondContact O-N 3.46Å; K568-A571 PolarHBondContact O-N 3.37Å; T569-A571 PolarHBondContact O-N 3.12Å; A571-Y573 VanDerWaalsContact C-N 3.32Å; A571-Y573 PolarHBondContact O-N 3.39Å; A571-L574 PolarHBondContact O-N 3.49Å; A571-C575 VanDerWaalsContact O-CB 3.24Å; A571-C575 WeakPolarHBondContact O-CB 3.37Å; A571-C575 PolarHBondContact O-N 3.26Å; A571-C575 PolarHBondContact O-SG 3.4Å; A571-A594 HydrophobicContact CB-CB 4.48Å; A571-L597 HydrophobicContact CB-CB 3.79Å; A571-L597 HydrophobicContact CB-CD1 4.46Å; A571-W614 HydrophobicContact CB-CH2 3.62Å; A571-W614 HydrophobicContact CB-CZ2 4.03Å
572S72.9Confident75.4Confident45 Ų4530.2 Ų30.232%0.31516%0.159SC..Hα-helixtrans-56.6-44177.2-178.60000112.8K568 T569 I570 C575 T576K568-S572 PolarHBondContact O-N 2.71Å; T569-S572 PolarHBondContact O-N 3.4Å; I570-S572 VanDerWaalsContact C-N 3.35Å; I570-S572 PolarHBondContact O-N 3.29Å; S572-C575 WeakPolarHBondContact O-CB 3.41Å; S572-C575 PolarHBondContact O-N 2.94Å; S572-T576 PolarHBondContact O-N 3.49Å; S572-T576 PolarHBondContact O-OG1 2.89Å
573Y74.2Confident76.3Confident31 Ų3133.8 Ų33.812%0.12218%0.177CC..Hα-helixtrans-69.7-45.2178.2-74.8-64.1000112.5M501 L504 W524 T569 I570 A571 C575 T576 I577 L710 L713M501-Y573 HydrophobicContact CE-CE2 4.38Å; M501-Y573 HydrophobicContact SD-CE2 3.67Å; L504-Y573 WeakPolarHBondContact CB-OH 3.27Å; L504-Y573 WeakPolarHBondContact CD1-OH 3.42Å; W524-Y573 HydrophobicContact CH2-CD2 4.18Å; W524-Y573 HydrophobicContact CH2-CE2 4.24Å; T569-Y573 HydrophobicContact CG2-CD2 4.07Å; T569-Y573 HydrophobicContact CG2-CE2 3.58Å; T569-Y573 WeakPolarHBondContact O-CD2 3.36Å; T569-Y573 PolarHBondContact O-N 2.86Å; I570-Y573 PolarHBondContact O-N 2.71Å; A571-Y573 VanDerWaalsContact C-N 3.32Å; A571-Y573 PolarHBondContact O-N 3.39Å; Y573-C575 PolarHBondContact O-N 3.12Å; Y573-T576 CarbonylContact O-C 3.58Å; Y573-T576 WeakPolarHBondContact O-CA 3.32Å; Y573-T576 WeakPolarHBondContact O-CB 3.41Å; Y573-T576 PolarHBondContact O-N 3.12Å; Y573-I577 WeakPolarHBondContact O-CD1 3.35Å; Y573-I577 WeakPolarHBondContact O-CG1 3.41Å; Y573-I577 PolarHBondContact O-N 3.23Å; Y573-L710 VanDerWaalsContact CB-CD2 3.48Å; Y573-L710 HydrophobicContact CG-CD2 4.35Å; Y573-L713 HydrophobicContact CD1-CD1 3.86Å; Y573-L713 HydrophobicContact CG-CD1 4.25Å
574L80.4Confident76.8Confident0 Ų037.1 Ų37.10%020%0.199CC..Hα-helixtrans-58.8-39.6176.4-67.6174.4000111.2I570 A571 T576 I577 S578 S590 L593 A594 L597 C709 L710I570-L574 HydrophobicContact CG2-CD1 3.57Å; I570-L574 HydrophobicContact CG2-CG 4.05Å; I570-L574 VanDerWaalsContact O-CG 3.28Å; I570-L574 WeakPolarHBondContact O-CG 3.24Å; I570-L574 PolarHBondContact O-N 2.98Å; A571-L574 PolarHBondContact O-N 3.49Å; L574-T576 VanDerWaalsContact C-N 3.31Å; L574-T576 PolarHBondContact O-N 3.24Å; L574-I577 HydrophobicContact CD2-CD1 4.39Å; L574-I577 PolarHBondContact O-N 2.93Å; L574-S578 WeakPolarHBondContact O-CB 3.41Å; L574-S578 PolarHBondContact O-N 3.44Å; L574-S578 PolarHBondContact O-OG 3.04Å; L574-S590 VanDerWaalsContact O-CB 3.29Å; L574-S590 WeakPolarHBondContact O-CB 3.46Å; L574-L593 HydrophobicContact CD1-CB 3.55Å; L574-L593 HydrophobicContact CD1-CD1 4.4Å; L574-L593 HydrophobicContact CD2-CD1 4.41Å; L574-A594 HydrophobicContact CB-CB 3.91Å; L574-L597 HydrophobicContact CD1-CD1 3.97Å; L574-C709 HydrophobicContact CD2-CB 3.42Å; L574-C709 VanDerWaalsContact CD2-CB 3.42Å; L574-L710 HydrophobicContact CD2-CD2 4.09Å; L574-L710 HydrophobicContact CD2-CG 4.35Å; L574-L710 HydrophobicContact CG-CD2 4.36Å
575C77.4Confident77.5Confident2 Ų240.8 Ų40.81%0.01422%0.222CC..Hα-helixtrans-62.2-34.8171.8-80.70000113.5A571 S572 Y573 S578 P615 Y620A571-C575 VanDerWaalsContact O-CB 3.24Å; A571-C575 WeakPolarHBondContact O-CB 3.37Å; A571-C575 PolarHBondContact O-N 3.26Å; A571-C575 PolarHBondContact O-SG 3.4Å; S572-C575 WeakPolarHBondContact O-CB 3.41Å; S572-C575 PolarHBondContact O-N 2.94Å; Y573-C575 PolarHBondContact O-N 3.12Å; C575-S578 PolarHBondContact O-OG 3.37Å; C575-P615 HydrophobicContact CB-CB 4.44Å; C575-P615 HydrophobicContact CB-CG 4.14Å; C575-P615 VanDerWaalsContact SG-CG 3.57Å; C575-Y620 HydrophobicContact CB-CD1 4.24Å; C575-Y620 HydrophobicContact CB-CE1 3.34Å; C575-Y620 WeakPolarHBondContact CB-OH 3.44Å; C575-Y620 WeakPolarHBondContact SG-CE1 3.43Å
576T74.2Confident78.3Confident49 Ų4941.4 Ų41.430%0.30123%0.226SC..Hα-helixtrans-71.6-44.8175.7-59.70000110.7S572 Y573 L574 R579 Q580S572-T576 PolarHBondContact O-N 3.49Å; S572-T576 PolarHBondContact O-OG1 2.89Å; Y573-T576 CarbonylContact O-C 3.58Å; Y573-T576 WeakPolarHBondContact O-CA 3.32Å; Y573-T576 WeakPolarHBondContact O-CB 3.41Å; Y573-T576 PolarHBondContact O-N 3.12Å; L574-T576 VanDerWaalsContact C-N 3.31Å; L574-T576 PolarHBondContact O-N 3.24Å; T576-R579 PolarHBondContact O-N 2.86Å; T576-Q580 HydrophobicContact CG2-CG 4.45Å; T576-Q580 WeakPolarHBondContact O-CB 3.17Å; T576-Q580 WeakPolarHBondContact O-CG 3.4Å; T576-Q580 PolarHBondContact O-N 2.63Å; T576-Q580 VanDerWaalsContact O-N 3.07Å
577I77.4Confident78.7Confident4 Ų441.7 Ų41.72%0.02123%0.228CC..Hα-helixtrans-60.6-47177.4-67.6154.3000110.5Y573 L574 R579 Q580 T581 L586 S590 C709 L710 S712 L713Y573-I577 WeakPolarHBondContact O-CD1 3.35Å; Y573-I577 WeakPolarHBondContact O-CG1 3.41Å; Y573-I577 PolarHBondContact O-N 3.23Å; L574-I577 HydrophobicContact CD2-CD1 4.39Å; L574-I577 PolarHBondContact O-N 2.93Å; I577-R579 PolarHBondContact O-N 2.91Å; I577-R579 VanDerWaalsContact O-N 3.11Å; I577-Q580 PolarHBondContact O-N 3.03Å; I577-Q580 VanDerWaalsContact O-N 3.13Å; I577-T581 HydrophobicContact CG2-CG2 4.39Å; I577-T581 VanDerWaalsContact O-CB 3.29Å; I577-T581 WeakPolarHBondContact O-CB 3.4Å; I577-T581 WeakPolarHBondContact O-CG2 3.31Å; I577-T581 PolarHBondContact O-N 3.28Å; I577-L586 HydrophobicContact CG2-CD2 4.29Å; I577-L586 HydrophobicContact CG2-CG 4.09Å; I577-S590 VanDerWaalsContact CG2-OG 3.26Å; I577-S590 WeakPolarHBondContact CG2-OG 3.47Å; I577-C709 VanDerWaalsContact CD1-O 3.26Å; I577-C709 WeakPolarHBondContact CD1-O 3.46Å; I577-L710 HydrophobicContact CD1-CD2 3.87Å; I577-S712 WeakPolarHBondContact CG2-OG 3.49Å; I577-L713 HydrophobicContact CD1-CD1 3.73Å; I577-L713 HydrophobicContact CD1-CD2 4.44Å; I577-L713 HydrophobicContact CD1-CG 3.76Å; I577-L713 HydrophobicContact CG1-CD1 4.01Å; I577-L713 HydrophobicContact CG1-CD2 3.78Å; I577-L713 HydrophobicContact CG1-CG 3.58Å
578S80.6Confident79.1Confident5 Ų541.8 Ų41.84%0.03523%0.229CC..Hα-helixtrans-58.8-29.7-177.572.50000112.9L574 C575 A587L574-S578 WeakPolarHBondContact O-CB 3.41Å; L574-S578 PolarHBondContact O-N 3.44Å; L574-S578 PolarHBondContact O-OG 3.04Å; C575-S578 PolarHBondContact O-OG 3.37Å; S578-A587 WeakPolarHBondContact CB-O 3.26Å
579R76.2Confident79.8Confident126 Ų12642.7 Ų42.748%0.47523%0.234SC..Hα-helixtrans-86.3-33.4178.2-73.4-180171.5162.93.7113.9T576 I577 Y620 E623T576-R579 PolarHBondContact O-N 2.86Å; I577-R579 PolarHBondContact O-N 2.91Å; I577-R579 VanDerWaalsContact O-N 3.11Å; R579-Y620 PolarHBondContact NH1-OH 3.09Å; R579-Y620 PolarHBondContact NH2-OH 3.49Å; R579-Y620 VanDerWaalsContact NH2-OH 3.16Å; R579-E623 IonicContact NE-OE2 3.4Å
580Q76.7Confident80.6Confident146 Ų14641.9 Ų41.968%0.68223%0.229SC*.Hα-helixtrans-97.4-20.8-170.6-67.8-178.60.800113.4T576 I577T576-Q580 HydrophobicContact CG2-CG 4.45Å; T576-Q580 WeakPolarHBondContact O-CB 3.17Å; T576-Q580 WeakPolarHBondContact O-CG 3.4Å; T576-Q580 PolarHBondContact O-N 2.63Å; T576-Q580 VanDerWaalsContact O-N 3.07Å; I577-Q580 PolarHBondContact O-N 3.03Å; I577-Q580 VanDerWaalsContact O-N 3.13Å
581T79.8Confident81Confident36 Ų3641.9 Ų41.922%0.22123%0.229CC..  trans-75.2142.7-177.8-168.50000112.3I577 N583 L586 A587I577-T581 HydrophobicContact CG2-CG2 4.39Å; I577-T581 VanDerWaalsContact O-CB 3.29Å; I577-T581 WeakPolarHBondContact O-CB 3.4Å; I577-T581 WeakPolarHBondContact O-CG2 3.31Å; I577-T581 PolarHBondContact O-N 3.28Å; T581-N583 PolarHBondContact OG1-N 3.16Å; T581-L586 HydrophobicContact CG2-CB 4.24Å; T581-L586 HydrophobicContact CG2-CD2 4.31Å; T581-L586 HydrophobicContact CG2-CG 4.31Å; T581-L586 WeakPolarHBondContact OG1-CD2 3.46Å; T581-A587 HydrophobicContact CG2-CB 3.63Å
582T79.8Confident81.3Confident145 Ų14541.9 Ų41.989%0.8923%0.229SC*.SBendtrans-89.2-11.217254.60000112.6P584T582-P584 WeakPolarHBondContact O-CD 3.2Å
583N84.3Confident82.1Confident76 Ų7639.9 Ų39.941%0.40622%0.215SC..  trans-84.5113.9178.5179.7-21000109.7T581 T585 L586 A587T581-N583 PolarHBondContact OG1-N 3.16Å; N583-T585 VanDerWaalsContact C-N 3.33Å; N583-T585 PolarHBondContact O-N 3.37Å; N583-T585 WeakPolarHBondContact OD1-CB 3.46Å; N583-T585 PolarHBondContact OD1-N 3.46Å; N583-L586 HydrophobicContact CB-CB 3.83Å; N583-L586 HydrophobicContact CB-CD2 4.4Å; N583-L586 PolarHBondContact O-N 3.09Å; N583-L586 PolarHBondContact OD1-N 3.24Å; N583-A587 PolarHBondContact O-N 3.17Å
584P82.3Confident82.7Confident71 Ų7138.5 Ų38.546%0.46121%0.21SC..Hα-helixtrans-63.9-37.4-175.125.5-33.9000112.4T582 A587 V588T582-P584 WeakPolarHBondContact O-CD 3.2Å; P584-A587 WeakPolarHBondContact O-CB 3.35Å; P584-A587 PolarHBondContact O-N 2.99Å; P584-V588 VanDerWaalsContact O-CG2 3.31Å; P584-V588 WeakPolarHBondContact O-CG2 3.37Å; P584-V588 PolarHBondContact O-N 3.04Å
585T86.1Confident83Confident86 Ų8638.6 Ų38.653%0.52821%0.21SC..Hα-helixtrans-61.2-52.3176.4-51.10000109.6N583 A587 V588 D589N583-T585 VanDerWaalsContact C-N 3.33Å; N583-T585 PolarHBondContact O-N 3.37Å; N583-T585 WeakPolarHBondContact OD1-CB 3.46Å; N583-T585 PolarHBondContact OD1-N 3.46Å; T585-A587 PolarHBondContact O-N 2.82Å; T585-V588 PolarHBondContact O-N 3.41Å; T585-V588 VanDerWaalsContact O-N 3.08Å; T585-D589 PolarHBondContact O-N 3.39Å
586L85.6Confident83.4Confident21 Ų2138.5 Ų38.511%0.1121%0.21CC..Hα-helixtrans-58.9-36.3178.4-171.365.8000112.9I577 T581 N583 S590 C709 S712I577-L586 HydrophobicContact CG2-CD2 4.29Å; I577-L586 HydrophobicContact CG2-CG 4.09Å; T581-L586 HydrophobicContact CG2-CB 4.24Å; T581-L586 HydrophobicContact CG2-CD2 4.31Å; T581-L586 HydrophobicContact CG2-CG 4.31Å; T581-L586 WeakPolarHBondContact OG1-CD2 3.46Å; N583-L586 HydrophobicContact CB-CB 3.83Å; N583-L586 HydrophobicContact CB-CD2 4.4Å; N583-L586 PolarHBondContact O-N 3.09Å; N583-L586 PolarHBondContact OD1-N 3.24Å; L586-S590 VanDerWaalsContact O-CB 3.29Å; L586-S590 WeakPolarHBondContact O-CB 3.33Å; L586-S590 PolarHBondContact O-N 3.01Å; L586-S590 PolarHBondContact O-OG 3.42Å; L586-C709 HydrophobicContact CD1-CB 4.32Å; L586-S712 WeakPolarHBondContact CD2-OG 3.31Å
587A84.2Confident84Confident10 Ų1036.2 Ų36.28%0.08320%0.196CC..Hα-helixtrans-63.1-46.6175.500000111.7S578 T581 N583 P584 T585 A591 V624S578-A587 WeakPolarHBondContact CB-O 3.26Å; T581-A587 HydrophobicContact CG2-CB 3.63Å; N583-A587 PolarHBondContact O-N 3.17Å; P584-A587 WeakPolarHBondContact O-CB 3.35Å; P584-A587 PolarHBondContact O-N 2.99Å; T585-A587 PolarHBondContact O-N 2.82Å; A587-A591 VanDerWaalsContact O-CB 3.24Å; A587-A591 WeakPolarHBondContact O-CB 3.21Å; A587-A591 PolarHBondContact O-N 3.4Å; A587-V624 HydrophobicContact CB-CG1 4.38Å
588V86.6Confident84Confident3 Ų336.2 Ų36.22%0.01820%0.196CC..Hα-helixtrans-65.1-46.1177.1172.50000111.1P584 T585 S590 A591 C592 V624 H628 D631 V632P584-V588 VanDerWaalsContact O-CG2 3.31Å; P584-V588 WeakPolarHBondContact O-CG2 3.37Å; P584-V588 PolarHBondContact O-N 3.04Å; T585-V588 PolarHBondContact O-N 3.41Å; T585-V588 VanDerWaalsContact O-N 3.08Å; V588-S590 PolarHBondContact O-N 3.43Å; V588-A591 PolarHBondContact O-N 2.86Å; V588-C592 WeakPolarHBondContact O-CB 3.18Å; V588-C592 PolarHBondContact O-N 2.76Å; V588-C592 PolarHBondContact O-SG 3.24Å; V588-V624 HydrophobicContact CG2-CG1 4.13Å; V588-H628 HydrophobicContact CG2-CB 3.39Å; V588-D631 HydrophobicContact CG1-CB 4.14Å; V588-V632 HydrophobicContact CG1-CG2 3.72Å
589D88.3Confident84Confident22 Ų2236 Ų3612%0.11819%0.194CC..Hα-helixtrans-56-52.3177.8-6623.4000111T585 A591 C592 L593 R635 C709T585-D589 PolarHBondContact O-N 3.39Å; D589-A591 VanDerWaalsContact C-N 3.35Å; D589-A591 PolarHBondContact O-N 3.23Å; D589-C592 PolarHBondContact O-N 3.15Å; D589-L593 WeakPolarHBondContact O-CB 3.42Å; D589-L593 VanDerWaalsContact O-CG 3.26Å; D589-L593 WeakPolarHBondContact O-CG 3.45Å; D589-L593 PolarHBondContact O-N 3.23Å; D589-R635 VanDerWaalsContact CG-CZ 3.46Å; D589-R635 VanDerWaalsContact CG-NH1 3.28Å; D589-R635 IonicContact OD1-CZ 3.85Å; D589-R635 IonicContact OD1-NH1 2.68Å; D589-R635 PolarHBondContact OD1-NH1 3.08Å; D589-R635 IonicContact OD1-NH2 3.04Å; D589-R635 PolarHBondContact OD1-NH2 3.24Å; D589-R635 IonicContact OD2-CZ 2.78Å; D589-R635 IonicContact OD2-NH2 3.67Å; D589-R635 PolarHBondContact OD2-NH2 3.36Å; D589-C709 VanDerWaalsContact CB-SG 3.57Å
590S87.1Confident83.7Confident0 Ų030 Ų300%017%0.172CC..Hα-helixtrans-64.2-41.4-179.6-53.80000111.3L574 I577 L586 V588 A594L574-S590 VanDerWaalsContact O-CB 3.29Å; L574-S590 WeakPolarHBondContact O-CB 3.46Å; I577-S590 VanDerWaalsContact CG2-OG 3.26Å; I577-S590 WeakPolarHBondContact CG2-OG 3.47Å; L586-S590 VanDerWaalsContact O-CB 3.29Å; L586-S590 WeakPolarHBondContact O-CB 3.33Å; L586-S590 PolarHBondContact O-N 3.01Å; L586-S590 PolarHBondContact O-OG 3.42Å; V588-S590 PolarHBondContact O-N 3.43Å; S590-A594 VanDerWaalsContact O-CB 3.23Å; S590-A594 WeakPolarHBondContact O-CB 3.39Å; S590-A594 PolarHBondContact O-N 3.4Å
591A85.8Confident83Confident1 Ų124.8 Ų24.81%0.00815%0.149CC..Hα-helixtrans-64.2-46177.700000112.4A587 V588 D589 A594 C595 V624 I625A587-A591 VanDerWaalsContact O-CB 3.24Å; A587-A591 WeakPolarHBondContact O-CB 3.21Å; A587-A591 PolarHBondContact O-N 3.4Å; V588-A591 PolarHBondContact O-N 2.86Å; D589-A591 VanDerWaalsContact C-N 3.35Å; D589-A591 PolarHBondContact O-N 3.23Å; A591-A594 PolarHBondContact O-N 2.98Å; A591-C595 PolarHBondContact O-N 3.49Å; A591-C595 PolarHBondContact O-SG 2.8Å; A591-V624 HydrophobicContact CB-CB 4.18Å; A591-V624 HydrophobicContact CB-CG1 4.01Å; A591-I625 HydrophobicContact CB-CG1 4.43Å
592C88.3Confident82Confident0 Ų025.8 Ų25.80%017%0.166CC..Hα-helixtrans-61.3-48.5178.6-71.90000111.6V588 D589 C595 I596 F636 W639V588-C592 WeakPolarHBondContact O-CB 3.18Å; V588-C592 PolarHBondContact O-N 2.76Å; V588-C592 PolarHBondContact O-SG 3.24Å; D589-C592 PolarHBondContact O-N 3.15Å; C592-C595 PolarHBondContact O-N 2.9Å; C592-I596 PolarHBondContact O-N 2.81Å; C592-F636 HydrophobicContact CB-CE1 4.24Å; C592-W639 HydrophobicContact CB-CH2 3.92Å; C592-W639 HydrophobicContact CB-CZ3 3.98Å
593L89.7Confident80.9Confident4 Ų422.5 Ų22.52%0.02114%0.139CC..Hα-helixtrans-61.9-44.8178.5-69.8172000111.3L574 D589 C595 I596 L597 W639 F698 E702 N705 I706L574-L593 HydrophobicContact CD1-CB 3.55Å; L574-L593 HydrophobicContact CD1-CD1 4.4Å; L574-L593 HydrophobicContact CD2-CD1 4.41Å; D589-L593 WeakPolarHBondContact O-CB 3.42Å; D589-L593 VanDerWaalsContact O-CG 3.26Å; D589-L593 WeakPolarHBondContact O-CG 3.45Å; D589-L593 PolarHBondContact O-N 3.23Å; L593-C595 VanDerWaalsContact C-N 3.31Å; L593-C595 PolarHBondContact O-N 3.27Å; L593-I596 PolarHBondContact O-N 3.15Å; L593-L597 WeakPolarHBondContact O-CG 3.41Å; L593-L597 PolarHBondContact O-N 2.92Å; L593-W639 HydrophobicContact CD2-CH2 4.12Å; L593-W639 HydrophobicContact CD2-CZ2 4.17Å; L593-F698 HydrophobicContact CD2-CE1 4.2Å; L593-F698 HydrophobicContact CD2-CZ 3.75Å; L593-E702 HydrophobicContact CD2-CB 3.88Å; L593-E702 HydrophobicContact CD2-CG 4.12Å; L593-N705 HydrophobicContact CD1-CB 4.23Å; L593-I706 HydrophobicContact CD1-CG1 4.03Å; L593-I706 HydrophobicContact CD2-CG1 4.27Å
594A86.2Confident79.3Confident2 Ų219.9 Ų19.92%0.01712%0.124CC..Hα-helixtrans-59.8-41.3176.900000112A571 L574 S590 A591 I596 L597 C598A571-A594 HydrophobicContact CB-CB 4.48Å; L574-A594 HydrophobicContact CB-CB 3.91Å; S590-A594 VanDerWaalsContact O-CB 3.23Å; S590-A594 WeakPolarHBondContact O-CB 3.39Å; S590-A594 PolarHBondContact O-N 3.4Å; A591-A594 PolarHBondContact O-N 2.98Å; A594-I596 VanDerWaalsContact C-N 3.3Å; A594-I596 PolarHBondContact O-N 3.03Å; A594-L597 PolarHBondContact O-N 3.4Å; A594-C598 WeakPolarHBondContact O-CB 3.37Å; A594-C598 PolarHBondContact O-N 3.44Å; A594-C598 PolarHBondContact O-SG 2.96Å
595C85.6Confident77.4Confident2 Ų218.9 Ų18.91%0.01413%0.126CC..Hα-helixtrans-59.7-39.8178.8-71.30000112.6A591 C592 L593 Q599 L617 F621 I625 F636A591-C595 PolarHBondContact O-N 3.49Å; A591-C595 PolarHBondContact O-SG 2.8Å; C592-C595 PolarHBondContact O-N 2.9Å; L593-C595 VanDerWaalsContact C-N 3.31Å; L593-C595 PolarHBondContact O-N 3.27Å; C595-Q599 WeakPolarHBondContact O-CG 3.37Å; C595-L617 HydrophobicContact CB-CD2 4.25Å; C595-F621 HydrophobicContact CB-CE2 4.05Å; C595-F621 HydrophobicContact CB-CZ 4.46Å; C595-F621 WeakPolarHBondContact SG-CE2 3.48Å; C595-I625 WeakPolarHBondContact SG-CD1 3.29Å; C595-F636 HydrophobicContact CB-CZ 4.36Å
596I86.9Confident75.3Confident0 Ų023 Ų230%015%0.145CC..Hα-helixtrans-67.2-45.7177.7-58.1-58.6000111.2C592 L593 A594 C598 Q599 F636 W639 F646 I647 F698C592-I596 PolarHBondContact O-N 2.81Å; L593-I596 PolarHBondContact O-N 3.15Å; A594-I596 VanDerWaalsContact C-N 3.3Å; A594-I596 PolarHBondContact O-N 3.03Å; I596-C598 PolarHBondContact O-N 2.64Å; I596-Q599 WeakPolarHBondContact O-CB 3.27Å; I596-Q599 WeakPolarHBondContact O-CG 3.49Å; I596-Q599 PolarHBondContact O-N 3.09Å; I596-Q599 PolarHBondContact O-NE2 3.05Å; I596-F636 HydrophobicContact CD1-CE1 4.5Å; I596-W639 HydrophobicContact CD1-CE3 3.64Å; I596-W639 HydrophobicContact CD1-CZ3 3.93Å; I596-W639 HydrophobicContact CG1-CD2 4.43Å; I596-W639 HydrophobicContact CG1-CE3 3.58Å; I596-W639 HydrophobicContact CG1-CH2 4.19Å; I596-W639 HydrophobicContact CG1-CZ3 3.43Å; I596-W639 VanDerWaalsContact CG1-CZ3 3.43Å; I596-F646 HydrophobicContact CG2-CB 4.08Å; I596-I647 HydrophobicContact CD1-CD1 3.94Å; I596-I647 HydrophobicContact CD1-CG1 3.47Å; I596-I647 VanDerWaalsContact CD1-CG1 3.47Å; I596-F698 HydrophobicContact CB-CD1 4.27Å; I596-F698 HydrophobicContact CB-CE1 3.68Å; I596-F698 HydrophobicContact CB-CE2 3.99Å; I596-F698 HydrophobicContact CB-CZ 3.5Å; I596-F698 HydrophobicContact CG1-CE1 4.36Å; I596-F698 HydrophobicContact CG1-CE2 3.89Å; I596-F698 HydrophobicContact CG1-CZ 3.66Å; I596-F698 HydrophobicContact CG2-CD1 3.66Å; I596-F698 HydrophobicContact CG2-CD2 3.74Å; I596-F698 HydrophobicContact CG2-CE1 3.59Å; I596-F698 HydrophobicContact CG2-CE2 3.66Å; I596-F698 HydrophobicContact CG2-CG 3.72Å; I596-F698 HydrophobicContact CG2-CZ 3.57Å
597L85.5Confident73.2Confident0 Ų025.6 Ų25.60%016%0.159CC..Hα-helixtrans-68.9-32.2-177.9-66.3173.5000112.7I570 A571 L574 L593 A594 Q599 V600 F698 I699I570-L597 HydrophobicContact CB-CD1 3.84Å; I570-L597 HydrophobicContact CG2-CD1 3.39Å; A571-L597 HydrophobicContact CB-CB 3.79Å; A571-L597 HydrophobicContact CB-CD1 4.46Å; L574-L597 HydrophobicContact CD1-CD1 3.97Å; L593-L597 WeakPolarHBondContact O-CG 3.41Å; L593-L597 PolarHBondContact O-N 2.92Å; A594-L597 PolarHBondContact O-N 3.4Å; L597-Q599 PolarHBondContact O-N 3.3Å; L597-V600 WeakPolarHBondContact O-CB 3.34Å; L597-V600 WeakPolarHBondContact O-CG1 3.24Å; L597-V600 PolarHBondContact O-N 3.34Å; L597-F698 HydrophobicContact CD2-CD1 3.81Å; L597-F698 HydrophobicContact CD2-CE1 4.04Å; L597-F698 HydrophobicContact CG-CD1 4.32Å; L597-F698 HydrophobicContact CG-CE1 4.04Å; L597-I699 HydrophobicContact CD2-CD1 4.07Å; L597-I699 HydrophobicContact CD2-CG1 3.69Å
598C79.4Confident70.8Confident4 Ų427 Ų273%0.02717%0.168CC..Hα-helixtrans-68.2-15.5175.8-72.50000113.7A594 I596 V600 D601 L617A594-C598 WeakPolarHBondContact O-CB 3.37Å; A594-C598 PolarHBondContact O-N 3.44Å; A594-C598 PolarHBondContact O-SG 2.96Å; I596-C598 PolarHBondContact O-N 2.64Å; C598-V600 PolarHBondContact O-N 3.17Å; C598-V600 VanDerWaalsContact O-N 3.08Å; C598-D601 PolarHBondContact O-N 3.43Å; C598-L617 HydrophobicContact CB-CD1 4.39Å; C598-L617 HydrophobicContact CB-CD2 3.73Å; C598-L617 HydrophobicContact CB-CG 3.89Å
599Q79.4Confident68.6Low0 Ų030.9 Ų30.90%019%0.186CC..G310 helixtrans-63.8-13.7175.1-61179.592.800113.2C595 I596 L597 D601 G602 F646 F648 D649 L652C595-Q599 WeakPolarHBondContact O-CG 3.37Å; I596-Q599 WeakPolarHBondContact O-CB 3.27Å; I596-Q599 WeakPolarHBondContact O-CG 3.49Å; I596-Q599 PolarHBondContact O-N 3.09Å; I596-Q599 PolarHBondContact O-NE2 3.05Å; L597-Q599 PolarHBondContact O-N 3.3Å; Q599-D601 PolarHBondContact O-N 3.13Å; Q599-G602 PolarHBondContact O-N 3.25Å; Q599-G602 VanDerWaalsContact O-N 3.13Å; Q599-F646 PolarHBondContact NE2-O 3.47Å; Q599-F648 HydrophobicContact CB-CD2 4.46Å; Q599-F648 HydrophobicContact CB-CE1 4.35Å; Q599-F648 HydrophobicContact CB-CE2 3.67Å; Q599-F648 HydrophobicContact CB-CZ 3.59Å; Q599-D649 HydrophobicContact CB-CB 4.07Å; Q599-D649 HydrophobicContact CG-CB 3.67Å; Q599-L652 HydrophobicContact CG-CD2 3.61Å
600V70Confident66.2Low0 Ų035.6 Ų35.60%022%0.217CC..G310 helixtrans-52.7-33.9174.378.60000111.8F564 K568 L597 C598 G602 F604 L695F564-V600 HydrophobicContact CB-CG2 4.3Å; F564-V600 HydrophobicContact CD2-CG1 4.32Å; F564-V600 HydrophobicContact CD2-CG2 3.53Å; F564-V600 HydrophobicContact CE2-CG1 4.34Å; F564-V600 HydrophobicContact CE2-CG2 4.25Å; F564-V600 HydrophobicContact CG-CG2 4.25Å; K568-V600 HydrophobicContact CG-CG1 4.03Å; L597-V600 WeakPolarHBondContact O-CB 3.34Å; L597-V600 WeakPolarHBondContact O-CG1 3.24Å; L597-V600 PolarHBondContact O-N 3.34Å; C598-V600 PolarHBondContact O-N 3.17Å; C598-V600 VanDerWaalsContact O-N 3.08Å; V600-G602 VanDerWaalsContact C-N 3.35Å; V600-G602 PolarHBondContact O-N 3.5Å; V600-F604 HydrophobicContact CG2-CD2 3.57Å; V600-F604 HydrophobicContact CG2-CE2 3.59Å; V600-F604 VanDerWaalsContact O-CD2 3.24Å; V600-F604 WeakPolarHBondContact O-CD2 3.27Å; V600-F604 PolarHBondContact O-N 3.46Å; V600-L695 HydrophobicContact CB-CD1 3.65Å; V600-L695 HydrophobicContact CG2-CD1 3.57Å
601D61.7Low64Low38 Ų3836.2 Ų36.220%0.20322%0.223CC..G310 helixtrans-67.9-31.1-179.2-65.3-50.9000113.7K568 C598 Q599 K603 W614K568-D601 WeakPolarHBondContact CE-OD1 3.31Å; K568-D601 IonicContact NZ-OD1 3.98Å; K568-D601 PolarHBondContact NZ-OD1 3.27Å; C598-D601 PolarHBondContact O-N 3.43Å; Q599-D601 PolarHBondContact O-N 3.13Å; D601-K603 PolarHBondContact O-N 3.14Å; D601-W614 PolarHBondContact OD2-NE1 3.39Å
602G58.6Low61.8Low56 Ų5641.5 Ų41.558%0.57725%0.254SS*.G310 helixtrans-68.6-18.6-173.200000114.6Q599 V600Q599-G602 PolarHBondContact O-N 3.25Å; Q599-G602 VanDerWaalsContact O-N 3.13Å; V600-G602 VanDerWaalsContact C-N 3.35Å; V600-G602 PolarHBondContact O-N 3.5Å
603K56.3Low59.6Low77 Ų7748 Ų4834%0.33528%0.284SS..THydrogen-bonded Turntrans-116.5-30.5-176.4-112-116.8-175.9167.60114.4D601 G605 P688 V691D601-K603 PolarHBondContact O-N 3.14Å; K603-G605 PolarHBondContact O-N 3.31Å; K603-P688 WeakPolarHBondContact CE-O 3.4Å; K603-P688 PolarHBondContact NZ-O 2.72Å; K603-V691 HydrophobicContact CB-CB 4.38Å; K603-V691 HydrophobicContact CB-CG1 4.49Å; K603-V691 HydrophobicContact CB-CG2 3.92Å; K603-V691 HydrophobicContact CD-CB 4.41Å; K603-V691 HydrophobicContact CD-CG2 3.6Å; K603-V691 HydrophobicContact CG-CG2 3.7Å
604F52.1Low57.8Low21 Ų2149.6 Ų49.69%0.09229%0.29CS..  trans-79.539.3173.7-70-73000111.3Q560 F564 V600 D606 I607 S608 D692Q560-F604 HydrophobicContact CB-CE1 3.82Å; Q560-F604 HydrophobicContact CB-CZ 3.95Å; Q560-F604 HydrophobicContact CG-CE1 4.12Å; Q560-F604 HydrophobicContact CG-CZ 4.18Å; F564-F604 HydrophobicContact CD2-CB 4.23Å; F564-F604 AromaticContact CD2-CD2 3.67Å; F564-F604 HydrophobicContact CD2-CD2 3.67Å; F564-F604 HydrophobicContact CD2-CE2 4.21Å; F564-F604 HydrophobicContact CD2-CG 4Å; F564-F604 HydrophobicContact CE2-CB 4.13Å; F564-F604 HydrophobicContact CE2-CD2 4.31Å; F564-F604 HydrophobicContact CE2-CG 4.41Å; V600-F604 HydrophobicContact CG2-CD2 3.57Å; V600-F604 HydrophobicContact CG2-CE2 3.59Å; V600-F604 VanDerWaalsContact O-CD2 3.24Å; V600-F604 WeakPolarHBondContact O-CD2 3.27Å; V600-F604 PolarHBondContact O-N 3.46Å; F604-D606 PolarHBondContact O-N 3.45Å; F604-I607 HydrophobicContact CB-CB 4.16Å; F604-I607 HydrophobicContact CB-CD1 4.34Å; F604-I607 HydrophobicContact CB-CG1 4.36Å; F604-I607 HydrophobicContact CD1-CD1 3.65Å; F604-I607 HydrophobicContact CD1-CG1 4.45Å; F604-I607 HydrophobicContact CE1-CD1 4.39Å; F604-I607 HydrophobicContact CG-CD1 4.34Å; F604-I607 CarbonylContact O-C 3.59Å; F604-I607 WeakPolarHBondContact O-CA 3.47Å; F604-I607 PolarHBondContact O-N 2.88Å; F604-S608 PolarHBondContact O-N 3.47Å; F604-D692 HydrophobicContact CZ-CB 4.33Å
605G43Very low56.2Low49 Ų4950.1 Ų50.151%0.50529%0.293SS..THydrogen-bonded Turntrans-50.3-27-174.300000115.3K603 S608K603-G605 PolarHBondContact O-N 3.31Å; G605-S608 VanDerWaalsContact CA-OG 3.25Å; G605-S608 WeakPolarHBondContact CA-OG 3.48Å; G605-S608 PolarHBondContact O-OG 3.14Å
606D41Very low54.8Low173 Ų17353.3 Ų53.393%0.92532%0.316SS*.THydrogen-bonded Turntrans-82.4-17.5175.7-67.9-25.3000113.7F604F604-D606 PolarHBondContact O-N 3.45Å
607I41.2Very low53.5Low76 Ų7655.2 Ų55.239%0.3933%0.326SS..THydrogen-bonded Turntrans-107.2-17.2178.8-42.9-179.2000110.9F564 F604 H609F564-I607 HydrophobicContact CZ-CG2 4.45Å; F604-I607 HydrophobicContact CB-CB 4.16Å; F604-I607 HydrophobicContact CB-CD1 4.34Å; F604-I607 HydrophobicContact CB-CG1 4.36Å; F604-I607 HydrophobicContact CD1-CD1 3.65Å; F604-I607 HydrophobicContact CD1-CG1 4.45Å; F604-I607 HydrophobicContact CE1-CD1 4.39Å; F604-I607 HydrophobicContact CG-CD1 4.34Å; F604-I607 CarbonylContact O-C 3.59Å; F604-I607 WeakPolarHBondContact O-CA 3.47Å; F604-I607 PolarHBondContact O-N 2.88Å; I607-H609 PolarHBondContact O-N 3.14Å
608S34.5Very low52.2Low39 Ų3959.3 Ų59.327%0.27335%0.354SS..  trans-77.191.5-172.761.90000111.2F604 G605F604-S608 PolarHBondContact O-N 3.47Å; G605-S608 VanDerWaalsContact CA-OG 3.25Å; G605-S608 WeakPolarHBondContact CA-OG 3.48Å; G605-S608 PolarHBondContact O-OG 3.14Å
609H39.8Very low51.2Low85 Ų8561.7 Ų61.739%0.39437%0.37SS..  trans-81.9125154-70.8-57.6000108.7I607 A611I607-H609 PolarHBondContact O-N 3.14Å; H609-A611 VanDerWaalsContact C-N 3.27Å; H609-A611 PolarHBondContact O-N 2.94Å
610P37.9Very low50.3Low121 Ų12162.6 Ų62.679%0.78637%0.373SS*.  trans-69.392.8169.927.7-29.6000107.1V612P610-V612 PolarHBondContact O-N 3.13Å
611A41.9Very low50Low13 Ų1363.1 Ų63.111%0.10738%0.376CS..  trans-60.6134173.700000108.9F376 H609 H613 W614F376-A611 WeakPolarHBondContact O-CB 3.46Å; H609-A611 VanDerWaalsContact C-N 3.27Å; H609-A611 PolarHBondContact O-N 2.94Å; A611-H613 PolarHBondContact O-N 3.23Å; A611-W614 HydrophobicContact CB-CB 3.9Å; A611-W614 VanDerWaalsContact O-CB 3.32Å; A611-W614 WeakPolarHBondContact O-CB 3.47Å; A611-W614 PolarHBondContact O-N 2.95Å
612V38.8Very low50.1Low112 Ų11265.1 Ų65.168%0.67939%0.392SS*.THydrogen-bonded Turntrans-59.8-21.6-177.3175.30000112.2P610P610-V612 PolarHBondContact O-N 3.13Å
613H42.2Very low50.6Low136 Ų13667.5 Ų67.563%0.6339%0.389SS*.THydrogen-bonded Turntrans-101.41176-58.6-58.6000113.6A611A611-H613 PolarHBondContact O-N 3.23Å
614W50.9Low51.5Low38 Ų3864.7 Ų64.714%0.14438%0.378CS..SBendtrans-80.1125176.3-170.4-111.3000109.9K568 A571 D601 A611 S616K568-W614 HydrophobicContact CB-CH2 3.69Å; K568-W614 HydrophobicContact CB-CZ2 4.32Å; K568-W614 HydrophobicContact CB-CZ3 3.77Å; K568-W614 HydrophobicContact CD-CD2 4.43Å; K568-W614 HydrophobicContact CD-CE3 4.3Å; K568-W614 HydrophobicContact CD-CH2 4.35Å; K568-W614 HydrophobicContact CD-CZ2 4.36Å; K568-W614 HydrophobicContact CD-CZ3 4.26Å; K568-W614 HydrophobicContact CG-CH2 3.81Å; K568-W614 HydrophobicContact CG-CZ2 3.93Å; K568-W614 HydrophobicContact CG-CZ3 4.1Å; K568-W614 WeakPolarHBondContact O-CH2 3.46Å; K568-W614 WeakPolarHBondContact O-CZ3 3.48Å; A571-W614 HydrophobicContact CB-CH2 3.62Å; A571-W614 HydrophobicContact CB-CZ2 4.03Å; D601-W614 PolarHBondContact OD2-NE1 3.39Å; A611-W614 HydrophobicContact CB-CB 3.9Å; A611-W614 VanDerWaalsContact O-CB 3.32Å; A611-W614 WeakPolarHBondContact O-CB 3.47Å; A611-W614 PolarHBondContact O-N 2.95Å; W614-S616 PolarHBondContact O-N 3.17Å
615P52.5Low52.6Low12 Ų1263.7 Ų63.78%0.07837%0.374CS..  trans-59.9109.5175.224.3-34.9000111.2C575 L617 Y620C575-P615 HydrophobicContact CB-CB 4.44Å; C575-P615 HydrophobicContact CB-CG 4.14Å; C575-P615 VanDerWaalsContact SG-CG 3.57Å; P615-L617 PolarHBondContact O-N 3.13Å; P615-Y620 HydrophobicContact CB-CD2 3.61Å; P615-Y620 HydrophobicContact CB-CE1 4.33Å; P615-Y620 HydrophobicContact CB-CE2 2.89Å; P615-Y620 WeakPolarHBondContact CB-OH 3.45Å; P615-Y620 HydrophobicContact CG-CE2 4.22Å
616S56.2Low54.1Low70 Ų7067.3 Ų67.349%0.4938%0.377SS..  trans-60.7140.6165.154.50000108.5W614 S618 P619 Y620W614-S616 PolarHBondContact O-N 3.17Å; S616-S618 PolarHBondContact O-N 3.04Å; S616-S618 VanDerWaalsContact O-N 3.12Å; S616-P619 VanDerWaalsContact O-CD 3.25Å; S616-P619 WeakPolarHBondContact O-CD 3.49Å; S616-P619 WeakPolarHBondContact OG-CD 3.42Å; S616-P619 VanDerWaalsContact OG-CG 3.27Å; S616-P619 WeakPolarHBondContact OG-CG 3.45Å; S616-Y620 VanDerWaalsContact O-CD2 3.31Å; S616-Y620 WeakPolarHBondContact O-CD2 3.35Å
617L60.1Low55.9Low40 Ų4063.8 Ų63.821%0.20936%0.362CS..Hα-helixtrans-52.1-36.2178.6-80.6152.5000111.8C595 C598 P615 Y620 F621C595-L617 HydrophobicContact CB-CD2 4.25Å; C598-L617 HydrophobicContact CB-CD1 4.39Å; C598-L617 HydrophobicContact CB-CD2 3.73Å; C598-L617 HydrophobicContact CB-CG 3.89Å; P615-L617 PolarHBondContact O-N 3.13Å; L617-Y620 PolarHBondContact O-N 3.35Å; L617-F621 HydrophobicContact CD2-CE2 4.4Å; L617-F621 WeakPolarHBondContact O-CD2 3.43Å; L617-F621 PolarHBondContact O-N 2.94Å; L617-F621 VanDerWaalsContact O-N 3.12Å
618S59Low57.8Low85 Ų8563 Ų6359%0.59436%0.357SS*.Hα-helixtrans-60.9-51-171.3171.50000115.3S616 Y620 F621 S622S616-S618 PolarHBondContact O-N 3.04Å; S616-S618 VanDerWaalsContact O-N 3.12Å; S618-Y620 VanDerWaalsContact C-N 3.3Å; S618-Y620 PolarHBondContact O-N 2.89Å; S618-F621 PolarHBondContact O-N 3.2Å; S618-S622 PolarHBondContact O-N 2.89Å; S618-S622 PolarHBondContact O-OG 3.05Å; S618-S622 VanDerWaalsContact O-OG 3.05Å
619P58.4Low60.1Low55 Ų5561.9 Ų61.936%0.35735%0.346SS..Hα-helixtrans-55.2-40.7172.8-27.128000114.1S616 S622 E623S616-P619 VanDerWaalsContact O-CD 3.25Å; S616-P619 WeakPolarHBondContact O-CD 3.49Å; S616-P619 WeakPolarHBondContact OG-CD 3.42Å; S616-P619 VanDerWaalsContact OG-CG 3.27Å; S616-P619 WeakPolarHBondContact OG-CG 3.45Å; P619-S622 PolarHBondContact O-N 3.42Å; P619-E623 PolarHBondContact O-N 3.02Å
620Y60.6Low62.1Low19 Ų1961.4 Ų61.48%0.07535%0.349CS..Hα-helixtrans-71.4-36.7-174.9-74.4-95.2000112.2C575 R579 P615 S616 L617 S618 S622C575-Y620 HydrophobicContact CB-CD1 4.24Å; C575-Y620 HydrophobicContact CB-CE1 3.34Å; C575-Y620 WeakPolarHBondContact CB-OH 3.44Å; C575-Y620 WeakPolarHBondContact SG-CE1 3.43Å; R579-Y620 PolarHBondContact NH1-OH 3.09Å; R579-Y620 PolarHBondContact NH2-OH 3.49Å; R579-Y620 VanDerWaalsContact NH2-OH 3.16Å; P615-Y620 HydrophobicContact CB-CD2 3.61Å; P615-Y620 HydrophobicContact CB-CE1 4.33Å; P615-Y620 HydrophobicContact CB-CE2 2.89Å; P615-Y620 WeakPolarHBondContact CB-OH 3.45Å; P615-Y620 HydrophobicContact CG-CE2 4.22Å; S616-Y620 VanDerWaalsContact O-CD2 3.31Å; S616-Y620 WeakPolarHBondContact O-CD2 3.35Å; L617-Y620 PolarHBondContact O-N 3.35Å; S618-Y620 VanDerWaalsContact C-N 3.3Å; S618-Y620 PolarHBondContact O-N 2.89Å; Y620-S622 PolarHBondContact O-N 3.36Å
621F62.3Low64.2Low10 Ų1060.1 Ų60.14%0.04434%0.336CS..Iπ-helixtrans-59-37171-99-86.2000112.9C595 L617 S618 I625 H626 F636 L652 T655 I656 L659C595-F621 HydrophobicContact CB-CE2 4.05Å; C595-F621 HydrophobicContact CB-CZ 4.46Å; C595-F621 WeakPolarHBondContact SG-CE2 3.48Å; L617-F621 HydrophobicContact CD2-CE2 4.4Å; L617-F621 WeakPolarHBondContact O-CD2 3.43Å; L617-F621 PolarHBondContact O-N 2.94Å; L617-F621 VanDerWaalsContact O-N 3.12Å; S618-F621 PolarHBondContact O-N 3.2Å; F621-I625 HydrophobicContact CD1-CB 4.18Å; F621-I625 HydrophobicContact CD1-CD1 3.95Å; F621-I625 HydrophobicContact CD1-CG2 3.76Å; F621-I625 HydrophobicContact CD2-CD1 4.11Å; F621-I625 HydrophobicContact CE1-CB 4.44Å; F621-I625 HydrophobicContact CE1-CD1 3.73Å; F621-I625 HydrophobicContact CE1-CG2 3.74Å; F621-I625 HydrophobicContact CE2-CD1 3.85Å; F621-I625 HydrophobicContact CG-CD1 4.11Å; F621-I625 HydrophobicContact CZ-CD1 3.61Å; F621-H626 PolarHBondContact O-N 3.12Å; F621-H626 VanDerWaalsContact O-N 3.14Å; F621-F636 HydrophobicContact CE1-CE2 4.06Å; F621-F636 AromaticContact CZ-CE2 3.87Å; F621-F636 HydrophobicContact CZ-CE2 3.87Å; F621-F636 AromaticContact CZ-CZ 3.99Å; F621-F636 HydrophobicContact CZ-CZ 3.99Å; F621-L652 HydrophobicContact CD2-CD1 4.25Å; F621-L652 HydrophobicContact CE1-CD1 4.03Å; F621-L652 HydrophobicContact CE2-CD1 3.1Å; F621-L652 HydrophobicContact CZ-CD1 2.97Å; F621-L652 HydrophobicContact CZ-CG 4.46Å; F621-T655 HydrophobicContact CB-CG2 4.24Å; F621-T655 HydrophobicContact CD1-CG2 3.52Å; F621-T655 HydrophobicContact CE1-CG2 4.13Å; F621-T655 HydrophobicContact CG-CG2 3.87Å; F621-I656 HydrophobicContact CE1-CG1 4.03Å; F621-I656 HydrophobicContact CZ-CG1 4.23Å; F621-L659 HydrophobicContact CD1-CD1 3.9Å; F621-L659 HydrophobicContact CE1-CD1 4.24Å
622S65.4Low66.3Low80 Ų8059.5 Ų59.556%0.55933%0.33SS*.Iπ-helixtrans-76.7-32.8-173.8-55.90000112.9S618 P619 Y620S618-S622 PolarHBondContact O-N 2.89Å; S618-S622 PolarHBondContact O-OG 3.05Å; S618-S622 VanDerWaalsContact O-OG 3.05Å; P619-S622 PolarHBondContact O-N 3.42Å; Y620-S622 PolarHBondContact O-N 3.36Å
623E69.5Low68.4Low107 Ų10754.3 Ų54.350%0.530%0.299SS..Iπ-helixtrans-87.1-58.1-170.4-168.2174.9-169.500113.1R579 P619 T627R579-E623 IonicContact NE-OE2 3.4Å; P619-E623 PolarHBondContact O-N 3.02Å; E623-T627 PolarHBondContact O-OG1 3.47Å
624V74.3Confident70.3Confident18 Ų1851.8 Ų51.811%0.10929%0.29CS..Iπ-helixtrans-97-44.3-173.6-179.20000111.5A587 V588 A591 T627 H628A587-V624 HydrophobicContact CB-CG1 4.38Å; V588-V624 HydrophobicContact CG2-CG1 4.13Å; A591-V624 HydrophobicContact CB-CB 4.18Å; A591-V624 HydrophobicContact CB-CG1 4.01Å; V624-T627 PolarHBondContact O-N 3.45Å; V624-H628 PolarHBondContact O-N 3.39Å
625I74.4Confident71.9Confident0 Ų052.8 Ų52.80%029%0.294CS..Iπ-helixtrans-70.3-39.5-171-67.5176.2000112A591 C595 F621 T627 W629 V632 F636 L659A591-I625 HydrophobicContact CB-CG1 4.43Å; C595-I625 WeakPolarHBondContact SG-CD1 3.29Å; F621-I625 HydrophobicContact CD1-CB 4.18Å; F621-I625 HydrophobicContact CD1-CD1 3.95Å; F621-I625 HydrophobicContact CD1-CG2 3.76Å; F621-I625 HydrophobicContact CD2-CD1 4.11Å; F621-I625 HydrophobicContact CE1-CB 4.44Å; F621-I625 HydrophobicContact CE1-CD1 3.73Å; F621-I625 HydrophobicContact CE1-CG2 3.74Å; F621-I625 HydrophobicContact CE2-CD1 3.85Å; F621-I625 HydrophobicContact CG-CD1 4.11Å; F621-I625 HydrophobicContact CZ-CD1 3.61Å; I625-T627 VanDerWaalsContact C-N 3.27Å; I625-T627 PolarHBondContact O-N 3.5Å; I625-W629 HydrophobicContact CG2-CE3 3.69Å; I625-W629 HydrophobicContact CG2-CZ3 3.83Å; I625-W629 VanDerWaalsContact O-CA 3.28Å; I625-W629 WeakPolarHBondContact O-CA 3.24Å; I625-W629 PolarHBondContact O-N 2.98Å; I625-W629 VanDerWaalsContact O-N 3.13Å; I625-V632 HydrophobicContact CB-CG2 4.36Å; I625-V632 HydrophobicContact CG1-CG1 4.39Å; I625-V632 HydrophobicContact CG1-CG2 4.14Å; I625-V632 HydrophobicContact CG2-CB 4.36Å; I625-V632 HydrophobicContact CG2-CG1 3.83Å; I625-V632 HydrophobicContact CG2-CG2 4.22Å; I625-F636 HydrophobicContact CD1-CZ 4.3Å; I625-L659 HydrophobicContact CG2-CD1 4.01Å
626H75.9Confident73.5Confident124 Ų12452.2 Ų52.257%0.57429%0.29SS*.THydrogen-bonded Turntrans-64.7-33.8175.9-163.5-58.4000112.2F621F621-H626 PolarHBondContact O-N 3.12Å; F621-H626 VanDerWaalsContact O-N 3.14Å
627T77.8Confident74.9Confident99 Ų9950.2 Ų50.261%0.60727%0.273SS*.THydrogen-bonded Turntrans-77.4-36-177.1-52.90000112.1E623 V624 I625E623-T627 PolarHBondContact O-OG1 3.47Å; V624-T627 PolarHBondContact O-N 3.45Å; I625-T627 VanDerWaalsContact C-N 3.27Å; I625-T627 PolarHBondContact O-N 3.5Å
628H82.4Confident75.9Confident61 Ų6155.3 Ų55.328%0.28229%0.294SS..THydrogen-bonded Turntrans-115.534.5-175.2-62.9-74.8000112.7V588 V624 V630 D631 V632V588-H628 HydrophobicContact CG2-CB 3.39Å; V624-H628 PolarHBondContact O-N 3.39Å; H628-V630 PolarHBondContact O-N 2.85Å; H628-V630 VanDerWaalsContact O-N 3.12Å; H628-D631 PolarHBondContact O-N 3.18Å; H628-D631 VanDerWaalsContact O-N 3.08Å; H628-V632 WeakPolarHBondContact O-CG2 3.25Å; H628-V632 PolarHBondContact O-N 3.16Å; H628-V632 VanDerWaalsContact O-N 3.12Å
629W82.8Confident77.2Confident15 Ų1551.7 Ų51.76%0.05727%0.267CS..Hα-helixtrans-55.7-36.1-170178.4-108.5000113.8I625 D631 V632 R633 F636 I656 L659 E660 V663 W669 F675I625-W629 HydrophobicContact CG2-CE3 3.69Å; I625-W629 HydrophobicContact CG2-CZ3 3.83Å; I625-W629 VanDerWaalsContact O-CA 3.28Å; I625-W629 WeakPolarHBondContact O-CA 3.24Å; I625-W629 PolarHBondContact O-N 2.98Å; I625-W629 VanDerWaalsContact O-N 3.13Å; W629-D631 PolarHBondContact O-N 3.32Å; W629-V632 HydrophobicContact CE3-CB 4.32Å; W629-V632 HydrophobicContact CE3-CG1 4.19Å; W629-V632 HydrophobicContact CZ3-CG1 4.07Å; W629-V632 PolarHBondContact O-N 2.98Å; W629-R633 HydrophobicContact CZ2-CB 4.48Å; W629-R633 WeakPolarHBondContact O-CB 3.47Å; W629-R633 PolarHBondContact O-N 3.44Å; W629-F636 HydrophobicContact CH2-CD2 4.35Å; W629-F636 HydrophobicContact CZ3-CD2 4.25Å; W629-F636 HydrophobicContact CZ3-CE2 4.35Å; W629-I656 HydrophobicContact CH2-CB 4.19Å; W629-I656 HydrophobicContact CH2-CG1 4.37Å; W629-I656 HydrophobicContact CH2-CG2 3.73Å; W629-I656 HydrophobicContact CZ2-CG2 4.43Å; W629-L659 HydrophobicContact CD2-CB 4.04Å; W629-L659 HydrophobicContact CD2-CD1 4.49Å; W629-L659 HydrophobicContact CE3-CB 4.05Å; W629-L659 HydrophobicContact CE3-CD1 3.72Å; W629-L659 HydrophobicContact CE3-CG 4.48Å; W629-L659 HydrophobicContact CH2-CB 3.96Å; W629-L659 HydrophobicContact CH2-CD1 4.26Å; W629-L659 HydrophobicContact CZ2-CB 3.97Å; W629-L659 HydrophobicContact CZ3-CB 4.01Å; W629-L659 HydrophobicContact CZ3-CD1 3.59Å; W629-L659 HydrophobicContact CZ3-CG 4.46Å; W629-E660 HydrophobicContact CZ2-CB 4.02Å; W629-E660 WeakPolarHBondContact CZ2-OE2 3.35Å; W629-E660 PolarHBondContact NE1-OE2 2.88Å; W629-V663 HydrophobicContact CG-CG2 4.28Å; W629-W669 AromaticContact CD1-CH2 3.58Å; W629-W669 AromaticContact NE1-CH2 3.6Å; W629-F675 HydrophobicContact CZ2-CE1 4.48Å
630V81.3Confident78.3Confident74 Ų7449.2 Ų49.245%0.44825%0.251SS..Hα-helixtrans-58.1-48.1178.1-178.20000111.4H628 R633 D634 W669H628-V630 PolarHBondContact O-N 2.85Å; H628-V630 VanDerWaalsContact O-N 3.12Å; V630-R633 PolarHBondContact O-N 3.09Å; V630-D634 PolarHBondContact O-N 2.66Å; V630-W669 HydrophobicContact CG2-CZ2 4.27Å
631D82.2Confident79Confident94 Ų9452 Ų5250%0.50327%0.267SS..Hα-helixtrans-71-35.3-179.4-58.6-49.4000111.6V588 H628 W629V588-D631 HydrophobicContact CG1-CB 4.14Å; H628-D631 PolarHBondContact O-N 3.18Å; H628-D631 VanDerWaalsContact O-N 3.08Å; W629-D631 PolarHBondContact O-N 3.32Å
632V84.6Confident79.2Confident0 Ų053.6 Ų53.60%028%0.278CS..Hα-helixtrans-67.7-41.9176.4174.50000111.3V588 I625 H628 W629 D634 R635 F636V588-V632 HydrophobicContact CG1-CG2 3.72Å; I625-V632 HydrophobicContact CB-CG2 4.36Å; I625-V632 HydrophobicContact CG1-CG1 4.39Å; I625-V632 HydrophobicContact CG1-CG2 4.14Å; I625-V632 HydrophobicContact CG2-CB 4.36Å; I625-V632 HydrophobicContact CG2-CG1 3.83Å; I625-V632 HydrophobicContact CG2-CG2 4.22Å; H628-V632 WeakPolarHBondContact O-CG2 3.25Å; H628-V632 PolarHBondContact O-N 3.16Å; H628-V632 VanDerWaalsContact O-N 3.12Å; W629-V632 HydrophobicContact CE3-CB 4.32Å; W629-V632 HydrophobicContact CE3-CG1 4.19Å; W629-V632 HydrophobicContact CZ3-CG1 4.07Å; W629-V632 PolarHBondContact O-N 2.98Å; V632-D634 PolarHBondContact O-N 2.87Å; V632-R635 WeakPolarHBondContact O-CB 3.49Å; V632-R635 PolarHBondContact O-N 2.85Å; V632-R635 VanDerWaalsContact O-N 3.1Å; V632-F636 HydrophobicContact CG1-CD1 4.49Å; V632-F636 HydrophobicContact CG1-CD2 3.62Å; V632-F636 HydrophobicContact CG1-CE1 4.32Å; V632-F636 HydrophobicContact CG1-CE2 3.39Å; V632-F636 HydrophobicContact CG1-CG 4.19Å; V632-F636 HydrophobicContact CG1-CZ 3.78Å; V632-F636 PolarHBondContact O-N 3.22Å
633R84.1Confident79.2Confident4 Ų455.5 Ų55.52%0.01529%0.289CS..Hα-helixtrans-56.8-48.6-177.9178.7-168.8-176-82-3.6111.1W629 V630 R635 F636 L637 E660 D671W629-R633 HydrophobicContact CZ2-CB 4.48Å; W629-R633 WeakPolarHBondContact O-CB 3.47Å; W629-R633 PolarHBondContact O-N 3.44Å; V630-R633 PolarHBondContact O-N 3.09Å; R633-R635 PolarHBondContact O-N 3.09Å; R633-F636 PolarHBondContact O-N 2.83Å; R633-L637 VanDerWaalsContact O-CB 3.25Å; R633-L637 WeakPolarHBondContact O-CB 3.42Å; R633-L637 PolarHBondContact O-N 3.49Å; R633-E660 IonicContact CZ-OE1 3.54Å; R633-E660 IonicContact NE-OE1 2.93Å; R633-E660 PolarHBondContact NE-OE1 3.01Å; R633-E660 IonicContact NE-OE2 3.43Å; R633-E660 PolarHBondContact NE-OE2 3.3Å; R633-E660 IonicContact NH2-OE1 2.75Å; R633-E660 PolarHBondContact NH2-OE1 3.18Å; R633-E660 VanDerWaalsContact NH2-OE1 3.09Å; R633-D671 IonicContact CZ-OD1 3.5Å; R633-D671 IonicContact CZ-OD2 3.36Å; R633-D671 IonicContact NH1-OD1 3.47Å; R633-D671 PolarHBondContact NH1-OD1 2.91Å; R633-D671 VanDerWaalsContact NH1-OD1 3.17Å; R633-D671 IonicContact NH1-OD2 3.17Å; R633-D671 PolarHBondContact NH1-OD2 2.85Å; R633-D671 VanDerWaalsContact NH2-CG 3.27Å; R633-D671 IonicContact NH2-OD1 3.61Å; R633-D671 PolarHBondContact NH2-OD1 3.45Å; R633-D671 IonicContact NH2-OD2 2.72Å; R633-D671 PolarHBondContact NH2-OD2 3.39Å
634D82.6Confident79.1Confident82 Ų8255.1 Ų55.144%0.43929%0.287SS..Hα-helixtrans-60.2-29.8-179.6-76.7-3.9000112.5V630 V632 K638V630-D634 PolarHBondContact O-N 2.66Å; V632-D634 PolarHBondContact O-N 2.87Å; D634-K638 WeakPolarHBondContact O-CG 3.42Å
635R83.8Confident79.4Confident60 Ų6056.4 Ų56.423%0.22630%0.295CS..Hα-helixtrans-75.8-51173.7-68.8-144.7171.7103.80.6112.9D589 V632 R633 L637 K638 W639D589-R635 VanDerWaalsContact CG-CZ 3.46Å; D589-R635 VanDerWaalsContact CG-NH1 3.28Å; D589-R635 IonicContact OD1-CZ 3.85Å; D589-R635 IonicContact OD1-NH1 2.68Å; D589-R635 PolarHBondContact OD1-NH1 3.08Å; D589-R635 IonicContact OD1-NH2 3.04Å; D589-R635 PolarHBondContact OD1-NH2 3.24Å; D589-R635 IonicContact OD2-CZ 2.78Å; D589-R635 IonicContact OD2-NH2 3.67Å; D589-R635 PolarHBondContact OD2-NH2 3.36Å; V632-R635 WeakPolarHBondContact O-CB 3.49Å; V632-R635 PolarHBondContact O-N 2.85Å; V632-R635 VanDerWaalsContact O-N 3.1Å; R633-R635 PolarHBondContact O-N 3.09Å; R635-L637 PolarHBondContact O-N 3.39Å; R635-K638 WeakPolarHBondContact O-CB 3.39Å; R635-K638 PolarHBondContact O-N 3.48Å; R635-K638 VanDerWaalsContact O-N 3.09Å; R635-W639 PolarHBondContact O-N 3.23Å
636F86.6Confident79.9Confident0 Ų056.5 Ų56.50%030%0.295CS..Hα-helixtrans-61.9-36.4179.9-72.2-12.1000111.6C592 C595 I596 F621 I625 W629 V632 R633 K638 W639 I640 I647 I656 F675C592-F636 HydrophobicContact CB-CE1 4.24Å; C595-F636 HydrophobicContact CB-CZ 4.36Å; I596-F636 HydrophobicContact CD1-CE1 4.5Å; F621-F636 HydrophobicContact CE1-CE2 4.06Å; F621-F636 AromaticContact CZ-CE2 3.87Å; F621-F636 HydrophobicContact CZ-CE2 3.87Å; F621-F636 AromaticContact CZ-CZ 3.99Å; F621-F636 HydrophobicContact CZ-CZ 3.99Å; I625-F636 HydrophobicContact CD1-CZ 4.3Å; W629-F636 HydrophobicContact CH2-CD2 4.35Å; W629-F636 HydrophobicContact CZ3-CD2 4.25Å; W629-F636 HydrophobicContact CZ3-CE2 4.35Å; V632-F636 HydrophobicContact CG1-CD1 4.49Å; V632-F636 HydrophobicContact CG1-CD2 3.62Å; V632-F636 HydrophobicContact CG1-CE1 4.32Å; V632-F636 HydrophobicContact CG1-CE2 3.39Å; V632-F636 HydrophobicContact CG1-CG 4.19Å; V632-F636 HydrophobicContact CG1-CZ 3.78Å; V632-F636 PolarHBondContact O-N 3.22Å; R633-F636 PolarHBondContact O-N 2.83Å; F636-K638 VanDerWaalsContact C-N 3.32Å; F636-K638 PolarHBondContact O-N 3.32Å; F636-W639 AromaticContact CD1-CE3 3.67Å; F636-W639 HydrophobicContact CD1-CE3 3.67Å; F636-W639 AromaticContact CD1-CZ3 3.79Å; F636-W639 HydrophobicContact CD1-CZ3 3.79Å; F636-W639 HydrophobicContact CE1-CE3 4.1Å; F636-W639 AromaticContact CE1-CZ3 3.81Å; F636-W639 HydrophobicContact CE1-CZ3 3.81Å; F636-W639 PolarHBondContact O-N 2.95Å; F636-I640 HydrophobicContact CB-CD1 4.35Å; F636-I640 VanDerWaalsContact O-CB 3.32Å; F636-I640 WeakPolarHBondContact O-CB 3.38Å; F636-I640 WeakPolarHBondContact O-CD1 3.3Å; F636-I640 WeakPolarHBondContact O-CG1 3.47Å; F636-I640 PolarHBondContact O-N 3.04Å; F636-I647 HydrophobicContact CB-CD1 4.2Å; F636-I647 HydrophobicContact CD1-CD1 4.02Å; F636-I647 HydrophobicContact CG-CD1 4.09Å; F636-I656 HydrophobicContact CD2-CD1 3.59Å; F636-I656 HydrophobicContact CD2-CG1 3.83Å; F636-I656 HydrophobicContact CD2-CG2 4.43Å; F636-I656 HydrophobicContact CE2-CD1 3.73Å; F636-I656 HydrophobicContact CE2-CG1 3.83Å; F636-I656 HydrophobicContact CG-CD1 4.27Å; F636-I656 HydrophobicContact CZ-CD1 4.48Å; F636-F675 HydrophobicContact CB-CE2 4.36Å; F636-F675 HydrophobicContact CB-CZ 4.43Å
637L84Confident80.3Confident27 Ų2750.6 Ų50.614%0.14127%0.268CS..Hα-helixtrans-55.6-46.7173.1-17974.6000111.4R633 R635 W639 I640 I641 D671 F675R633-L637 VanDerWaalsContact O-CB 3.25Å; R633-L637 WeakPolarHBondContact O-CB 3.42Å; R633-L637 PolarHBondContact O-N 3.49Å; R635-L637 PolarHBondContact O-N 3.39Å; L637-W639 PolarHBondContact O-N 3.18Å; L637-I640 PolarHBondContact O-N 3.49Å; L637-I641 HydrophobicContact CD1-CD1 3.27Å; L637-I641 HydrophobicContact CD1-CG1 4.05Å; L637-I641 HydrophobicContact CG-CD1 3.81Å; L637-I641 HydrophobicContact CG-CG1 4.49Å; L637-I641 WeakPolarHBondContact O-CB 3.5Å; L637-I641 WeakPolarHBondContact O-CG1 3.45Å; L637-I641 PolarHBondContact O-N 3.34Å; L637-D671 WeakPolarHBondContact CD2-OD2 3.37Å; L637-F675 HydrophobicContact CB-CD2 4.12Å; L637-F675 HydrophobicContact CB-CE2 4.15Å; L637-F675 HydrophobicContact CD1-CB 4.23Å; L637-F675 HydrophobicContact CD1-CD2 3.55Å; L637-F675 HydrophobicContact CD1-CE2 4.4Å; L637-F675 HydrophobicContact CD1-CG 4.36Å; L637-F675 HydrophobicContact CG-CD2 4.46Å
638K83.1Confident80.4Confident147 Ų14747 Ų4764%0.63924%0.244SC*.Hα-helixtrans-60.1-45177-71.7171.9-176.9174.70111.6D634 R635 F636 I640 S642D634-K638 WeakPolarHBondContact O-CG 3.42Å; R635-K638 WeakPolarHBondContact O-CB 3.39Å; R635-K638 PolarHBondContact O-N 3.48Å; R635-K638 VanDerWaalsContact O-N 3.09Å; F636-K638 VanDerWaalsContact C-N 3.32Å; F636-K638 PolarHBondContact O-N 3.32Å; K638-I640 VanDerWaalsContact C-N 3.32Å; K638-I640 PolarHBondContact O-N 3.08Å; K638-S642 WeakPolarHBondContact O-CB 3Å; K638-S642 PolarHBondContact O-N 3.48Å
639W85.4Confident80.2Confident10 Ų1045.1 Ų45.14%0.03824%0.236CC..Hα-helixtrans-76-17.2-178.8-60.7-31.1000114.3C592 L593 I596 R635 F636 L637 T645 F646 F698 E702C592-W639 HydrophobicContact CB-CH2 3.92Å; C592-W639 HydrophobicContact CB-CZ3 3.98Å; L593-W639 HydrophobicContact CD2-CH2 4.12Å; L593-W639 HydrophobicContact CD2-CZ2 4.17Å; I596-W639 HydrophobicContact CD1-CE3 3.64Å; I596-W639 HydrophobicContact CD1-CZ3 3.93Å; I596-W639 HydrophobicContact CG1-CD2 4.43Å; I596-W639 HydrophobicContact CG1-CE3 3.58Å; I596-W639 HydrophobicContact CG1-CH2 4.19Å; I596-W639 HydrophobicContact CG1-CZ3 3.43Å; I596-W639 VanDerWaalsContact CG1-CZ3 3.43Å; R635-W639 PolarHBondContact O-N 3.23Å; F636-W639 AromaticContact CD1-CE3 3.67Å; F636-W639 HydrophobicContact CD1-CE3 3.67Å; F636-W639 AromaticContact CD1-CZ3 3.79Å; F636-W639 HydrophobicContact CD1-CZ3 3.79Å; F636-W639 HydrophobicContact CE1-CE3 4.1Å; F636-W639 AromaticContact CE1-CZ3 3.81Å; F636-W639 HydrophobicContact CE1-CZ3 3.81Å; F636-W639 PolarHBondContact O-N 2.95Å; L637-W639 PolarHBondContact O-N 3.18Å; W639-T645 WeakPolarHBondContact O-CA 3.35Å; W639-F646 HydrophobicContact CB-CB 4.48Å; W639-F646 HydrophobicContact CB-CD2 4.13Å; W639-F646 AromaticContact CD1-CD2 3.92Å; W639-F646 HydrophobicContact CG-CD2 4.16Å; W639-F646 PolarHBondContact O-N 2.9Å; W639-F698 HydrophobicContact CD2-CE2 4.13Å; W639-F698 AromaticContact CE2-CE2 3.76Å; W639-F698 HydrophobicContact CE3-CE2 4.49Å; W639-F698 HydrophobicContact CH2-CE2 4.24Å; W639-F698 HydrophobicContact CH2-CZ 4.1Å; W639-F698 AromaticContact CZ2-CE2 3.84Å; W639-F698 HydrophobicContact CZ2-CE2 3.84Å; W639-F698 HydrophobicContact CZ2-CZ 4.04Å; W639-E702 HydrophobicContact CZ2-CG 4.28Å; W639-E702 PolarHBondContact NE1-OE1 3.05Å
640I82.3Confident80Confident2 Ų247.5 Ų47.51%0.0125%0.252CS..Hα-helixtrans-87.8-38.4174.4-72.3164.6000111.6F636 L637 K638 I647 F675 R678 L682F636-I640 HydrophobicContact CB-CD1 4.35Å; F636-I640 VanDerWaalsContact O-CB 3.32Å; F636-I640 WeakPolarHBondContact O-CB 3.38Å; F636-I640 WeakPolarHBondContact O-CD1 3.3Å; F636-I640 WeakPolarHBondContact O-CG1 3.47Å; F636-I640 PolarHBondContact O-N 3.04Å; L637-I640 PolarHBondContact O-N 3.49Å; K638-I640 VanDerWaalsContact C-N 3.32Å; K638-I640 PolarHBondContact O-N 3.08Å; I640-I647 HydrophobicContact CD1-CD1 4.07Å; I640-I647 HydrophobicContact CG1-CD1 3.89Å; I640-I647 HydrophobicContact CG1-CG1 4.42Å; I640-F675 HydrophobicContact CD1-CD2 4.29Å; I640-F675 HydrophobicContact CD1-CE2 3.63Å; I640-F675 HydrophobicContact CD1-CZ 3.94Å; I640-R678 HydrophobicContact CG2-CB 3.51Å; I640-R678 HydrophobicContact CG2-CG 4.27Å; I640-L682 HydrophobicContact CG1-CD1 4.32Å; I640-L682 HydrophobicContact CG2-CD1 4.01Å
641I73.7Confident79.8Confident79 Ų7949.6 Ų49.641%0.40526%0.261SS..Hα-helixtrans-88.8-27.2-174.4-64.7-176000113L637L637-I641 HydrophobicContact CD1-CD1 3.27Å; L637-I641 HydrophobicContact CD1-CG1 4.05Å; L637-I641 HydrophobicContact CG-CD1 3.81Å; L637-I641 HydrophobicContact CG-CG1 4.49Å; L637-I641 WeakPolarHBondContact O-CB 3.5Å; L637-I641 WeakPolarHBondContact O-CG1 3.45Å; L637-I641 PolarHBondContact O-N 3.34Å
642S66.7Low79.7Confident42 Ų4245.3 Ų45.329%0.29424%0.238SC..SBendtrans-50.5146.9176.5-1790000111.7K638 H644K638-S642 WeakPolarHBondContact O-CB 3Å; K638-S642 PolarHBondContact O-N 3.48Å; S642-H644 CarbonylContact O-C 3.59Å; S642-H644 PolarHBondContact O-N 3.34Å
643P67Low79.7Confident121 Ų12145.3 Ų45.379%0.78624%0.238SC*.SBendtrans-53.4-19.7176.620.9-34.5000114.1
644H67.3Low79.6Confident99 Ų9948 Ų4846%0.45825%0.253SS..SBendtrans-116.4109.4172.8-57.4-32.6000108.8S642 F646 E697S642-H644 CarbonylContact O-C 3.59Å; S642-H644 PolarHBondContact O-N 3.34Å; H644-F646 HydrophobicContact CB-CZ 4.24Å; H644-E697 IonicContact CD2-OE1 3.68Å; H644-E697 PolarHBondContact CD2-OE1 3.46Å; H644-E697 IonicContact CG-OE1 3.09Å; H644-E697 IonicContact NE2-OE1 2.82Å
645T79.5Confident79.4Confident44 Ų4446.6 Ų46.627%0.2725%0.247SC..  trans-83123.2179.2-54.20000110.3W639 I647 L682W639-T645 WeakPolarHBondContact O-CA 3.35Å; T645-I647 WeakPolarHBondContact CG2-O 3.01Å; T645-L682 HydrophobicContact CG2-CD1 3.63Å; T645-L682 HydrophobicContact CG2-CD2 3.7Å; T645-L682 HydrophobicContact CG2-CG 4.32Å
646F85.3Confident79.5Confident2 Ų243.7 Ų43.71%0.00924%0.236CC..  trans-94.4-12179.7-58.4-66.9000113.8I596 Q599 W639 H644 F648 V694 E697 F698 L701I596-F646 HydrophobicContact CG2-CB 4.08Å; Q599-F646 PolarHBondContact NE2-O 3.47Å; W639-F646 HydrophobicContact CB-CB 4.48Å; W639-F646 HydrophobicContact CB-CD2 4.13Å; W639-F646 AromaticContact CD1-CD2 3.92Å; W639-F646 HydrophobicContact CG-CD2 4.16Å; W639-F646 PolarHBondContact O-N 2.9Å; H644-F646 HydrophobicContact CB-CZ 4.24Å; F646-F648 WeakPolarHBondContact O-CD1 3.36Å; F646-F648 WeakPolarHBondContact O-CE1 3.25Å; F646-V694 HydrophobicContact CD1-CG1 3.74Å; F646-V694 HydrophobicContact CE1-CG1 4.45Å; F646-E697 HydrophobicContact CE1-CB 4.3Å; F646-E697 HydrophobicContact CE1-CG 4.15Å; F646-E697 HydrophobicContact CZ-CG 4.4Å; F646-F698 HydrophobicContact CB-CD2 3.97Å; F646-F698 HydrophobicContact CD1-CB 3.65Å; F646-F698 AromaticContact CD1-CD2 3.96Å; F646-F698 HydrophobicContact CD1-CD2 3.96Å; F646-F698 HydrophobicContact CD1-CG 4.26Å; F646-F698 AromaticContact CD2-CD2 3.92Å; F646-F698 HydrophobicContact CD2-CD2 3.92Å; F646-F698 HydrophobicContact CE1-CB 3.9Å; F646-F698 HydrophobicContact CE1-CD2 4.46Å; F646-F698 HydrophobicContact CE2-CD2 4.41Å; F646-F698 HydrophobicContact CG-CB 4.24Å; F646-F698 AromaticContact CG-CD2 3.67Å; F646-F698 HydrophobicContact CG-CD2 3.67Å; F646-F698 HydrophobicContact CG-CG 4.38Å; F646-L701 HydrophobicContact CE2-CD2 3.58Å; F646-L701 HydrophobicContact CZ-CD2 3.7Å
647I83.5Confident79.4Confident1 Ų147 Ų471%0.00525%0.251CS..  trans-100.4112.3179.2-50.2-174000109.8I596 F636 I640 T645 L652 L653 I656I596-I647 HydrophobicContact CD1-CD1 3.94Å; I596-I647 HydrophobicContact CD1-CG1 3.47Å; I596-I647 VanDerWaalsContact CD1-CG1 3.47Å; F636-I647 HydrophobicContact CB-CD1 4.2Å; F636-I647 HydrophobicContact CD1-CD1 4.02Å; F636-I647 HydrophobicContact CG-CD1 4.09Å; I640-I647 HydrophobicContact CD1-CD1 4.07Å; I640-I647 HydrophobicContact CG1-CD1 3.89Å; I640-I647 HydrophobicContact CG1-CG1 4.42Å; T645-I647 WeakPolarHBondContact CG2-O 3.01Å; I647-L652 HydrophobicContact CG2-CD2 3.73Å; I647-L652 HydrophobicContact CG2-CG 3.88Å; I647-L653 HydrophobicContact CB-CD2 4.22Å; I647-L653 HydrophobicContact CG2-CD2 3.54Å; I647-L653 HydrophobicContact CG2-CG 3.78Å; I647-I656 HydrophobicContact CD1-CD1 3.98Å; I647-I656 HydrophobicContact CG2-CD1 4.38Å
648F80Confident79.3Confident22 Ų2253.9 Ų53.910%0.09628%0.275CS..  trans-133.2-10.1-178.253.4-96.6000113.4Q599 F646 V650 P688 V691 V694 L695Q599-F648 HydrophobicContact CB-CD2 4.46Å; Q599-F648 HydrophobicContact CB-CE1 4.35Å; Q599-F648 HydrophobicContact CB-CE2 3.67Å; Q599-F648 HydrophobicContact CB-CZ 3.59Å; F646-F648 WeakPolarHBondContact O-CD1 3.36Å; F646-F648 WeakPolarHBondContact O-CE1 3.25Å; F648-V650 PolarHBondContact O-N 3.49Å; F648-P688 HydrophobicContact CB-CG 4.31Å; F648-P688 HydrophobicContact CD1-CG 4.24Å; F648-P688 HydrophobicContact CG-CG 4.24Å; F648-V691 HydrophobicContact CD2-CG2 4.14Å; F648-V691 HydrophobicContact CE1-CG1 4.28Å; F648-V691 HydrophobicContact CE2-CB 4.45Å; F648-V691 HydrophobicContact CE2-CG1 3.75Å; F648-V691 HydrophobicContact CE2-CG2 3.79Å; F648-V691 HydrophobicContact CZ-CB 4.34Å; F648-V691 HydrophobicContact CZ-CG1 3.44Å; F648-V691 VanDerWaalsContact CZ-CG1 3.44Å; F648-V691 HydrophobicContact CZ-CG2 4.07Å; F648-V694 HydrophobicContact CD1-CG1 4.32Å; F648-V694 HydrophobicContact CE1-CG1 4.13Å; F648-L695 HydrophobicContact CE1-CD2 4.49Å; F648-L695 HydrophobicContact CZ-CD2 4.4Å; F648-L695 HydrophobicContact CZ-CG 4.47Å
649D77.8Confident79.2Confident23 Ų2347.9 Ų47.912%0.12325%0.249CC..  trans-71.2125174.2-178.1-88.4000110.7Q599 D651 L652 L653Q599-D649 HydrophobicContact CB-CB 4.07Å; Q599-D649 HydrophobicContact CG-CB 3.67Å; D649-D651 WeakPolarHBondContact OD1-CB 3.48Å; D649-D651 PolarHBondContact OD1-N 3.18Å; D649-D651 VanDerWaalsContact OD1-N 3.11Å; D649-L652 HydrophobicContact CB-CB 3.8Å; D649-L652 HydrophobicContact CB-CD2 4.43Å; D649-L652 WeakPolarHBondContact O-CB 3.36Å; D649-L652 PolarHBondContact O-N 2.81Å; D649-L652 VanDerWaalsContact OD1-CB 3.31Å; D649-L652 WeakPolarHBondContact OD1-CB 3.32Å; D649-L652 PolarHBondContact OD1-N 3.38Å; D649-L653 WeakPolarHBondContact O-CB 3.45Å; D649-L653 VanDerWaalsContact O-CG 3.27Å; D649-L653 WeakPolarHBondContact O-CG 3.27Å; D649-L653 PolarHBondContact O-N 3.44Å
650V78.4Confident79.2Confident65 Ų6547.4 Ų47.439%0.39425%0.248SC..Hα-helixtrans-69.9-36.6-172.9173.20000111.4F648 L653 N654 V683F648-V650 PolarHBondContact O-N 3.49Å; V650-L653 PolarHBondContact O-N 2.8Å; V650-N654 WeakPolarHBondContact CG1-ND2 3.35Å; V650-N654 VanDerWaalsContact O-CB 3.32Å; V650-N654 WeakPolarHBondContact O-CB 3.3Å; V650-N654 VanDerWaalsContact O-CG 3.24Å; V650-N654 PolarHBondContact O-N 3.13Å; V650-N654 PolarHBondContact O-ND2 3.31Å; V650-N654 VanDerWaalsContact O-ND2 3.09Å; V650-V683 HydrophobicContact CG1-CG1 4.08Å
651D77.7Confident79.2Confident117 Ų11749.5 Ų49.563%0.62626%0.263SS*.Hα-helixtrans-69.8-39.4179.8-71.1-25.7000110.8D649 N654 T655D649-D651 WeakPolarHBondContact OD1-CB 3.48Å; D649-D651 PolarHBondContact OD1-N 3.18Å; D649-D651 VanDerWaalsContact OD1-N 3.11Å; D651-N654 PolarHBondContact O-N 3.06Å; D651-T655 WeakPolarHBondContact O-CB 3.27Å; D651-T655 PolarHBondContact O-N 3.2Å; D651-T655 PolarHBondContact O-OG1 3.02Å
652L79.9Confident79.4Confident4 Ų452 Ų522%0.02128%0.277CS..Hα-helixtrans-59.3-52.3171.1177.354.8000111.4Q599 F621 I647 D649 N654 T655 I656Q599-L652 HydrophobicContact CG-CD2 3.61Å; F621-L652 HydrophobicContact CD2-CD1 4.25Å; F621-L652 HydrophobicContact CE1-CD1 4.03Å; F621-L652 HydrophobicContact CE2-CD1 3.1Å; F621-L652 HydrophobicContact CZ-CD1 2.97Å; F621-L652 HydrophobicContact CZ-CG 4.46Å; I647-L652 HydrophobicContact CG2-CD2 3.73Å; I647-L652 HydrophobicContact CG2-CG 3.88Å; D649-L652 HydrophobicContact CB-CB 3.8Å; D649-L652 HydrophobicContact CB-CD2 4.43Å; D649-L652 WeakPolarHBondContact O-CB 3.36Å; D649-L652 PolarHBondContact O-N 2.81Å; D649-L652 VanDerWaalsContact OD1-CB 3.31Å; D649-L652 WeakPolarHBondContact OD1-CB 3.32Å; D649-L652 PolarHBondContact OD1-N 3.38Å; L652-N654 VanDerWaalsContact C-N 3.34Å; L652-N654 PolarHBondContact O-N 3.01Å; L652-T655 PolarHBondContact O-N 2.86Å; L652-T655 VanDerWaalsContact O-N 3.15Å; L652-I656 HydrophobicContact CD1-CD1 3.77Å; L652-I656 HydrophobicContact CD1-CG1 4.15Å; L652-I656 HydrophobicContact CG-CD1 3.89Å; L652-I656 WeakPolarHBondContact O-CB 3.26Å; L652-I656 VanDerWaalsContact O-CG1 3.24Å; L652-I656 WeakPolarHBondContact O-CG1 3.32Å; L652-I656 PolarHBondContact O-N 3.21Å
653L84.2Confident79.8Confident0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-59.9-43.2178.5-73.2165.9000112.2I647 D649 V650 T655 I656 F657 L682 V683I647-L653 HydrophobicContact CB-CD2 4.22Å; I647-L653 HydrophobicContact CG2-CD2 3.54Å; I647-L653 HydrophobicContact CG2-CG 3.78Å; D649-L653 WeakPolarHBondContact O-CB 3.45Å; D649-L653 VanDerWaalsContact O-CG 3.27Å; D649-L653 WeakPolarHBondContact O-CG 3.27Å; D649-L653 PolarHBondContact O-N 3.44Å; V650-L653 PolarHBondContact O-N 2.8Å; L653-T655 VanDerWaalsContact C-N 3.31Å; L653-T655 PolarHBondContact O-N 3.43Å; L653-I656 PolarHBondContact O-N 3.39Å; L653-F657 WeakPolarHBondContact O-CB 3.3Å; L653-F657 PolarHBondContact O-N 3.06Å; L653-L682 HydrophobicContact CD1-CB 3.67Å; L653-L682 HydrophobicContact CD2-CB 4.11Å; L653-L682 HydrophobicContact CD2-CD1 3.98Å; L653-V683 HydrophobicContact CB-CG2 3.52Å; L653-V683 HydrophobicContact CD1-CG2 3.9Å; L653-V683 HydrophobicContact CG-CG2 4.33Å
654N82.3Confident79.7Confident62 Ų6254.5 Ų54.533%0.33228%0.276SS..Hα-helixtrans-63.8-38176.3-78.1-36000112.1V650 D651 L652 F657 R658V650-N654 WeakPolarHBondContact CG1-ND2 3.35Å; V650-N654 VanDerWaalsContact O-CB 3.32Å; V650-N654 WeakPolarHBondContact O-CB 3.3Å; V650-N654 VanDerWaalsContact O-CG 3.24Å; V650-N654 PolarHBondContact O-N 3.13Å; V650-N654 PolarHBondContact O-ND2 3.31Å; V650-N654 VanDerWaalsContact O-ND2 3.09Å; D651-N654 PolarHBondContact O-N 3.06Å; L652-N654 VanDerWaalsContact C-N 3.34Å; L652-N654 PolarHBondContact O-N 3.01Å; N654-F657 PolarHBondContact O-N 3.32Å; N654-R658 VanDerWaalsContact O-CG 3.3Å; N654-R658 WeakPolarHBondContact O-CG 3.3Å; N654-R658 PolarHBondContact O-N 2.95Å
655T78.8Confident79Confident51 Ų5154.2 Ų54.231%0.31329%0.291SS..Hα-helixtrans-67.6-47.6178.1-59.40000111F621 D651 L652 L653 F657 R658 L659F621-T655 HydrophobicContact CB-CG2 4.24Å; F621-T655 HydrophobicContact CD1-CG2 3.52Å; F621-T655 HydrophobicContact CE1-CG2 4.13Å; F621-T655 HydrophobicContact CG-CG2 3.87Å; D651-T655 WeakPolarHBondContact O-CB 3.27Å; D651-T655 PolarHBondContact O-N 3.2Å; D651-T655 PolarHBondContact O-OG1 3.02Å; L652-T655 PolarHBondContact O-N 2.86Å; L652-T655 VanDerWaalsContact O-N 3.15Å; L653-T655 VanDerWaalsContact C-N 3.31Å; L653-T655 PolarHBondContact O-N 3.43Å; T655-F657 VanDerWaalsContact C-N 3.31Å; T655-F657 PolarHBondContact O-N 3.26Å; T655-R658 PolarHBondContact O-N 3.44Å; T655-L659 HydrophobicContact CG2-CD1 4.32Å; T655-L659 WeakPolarHBondContact O-CG 3.48Å; T655-L659 PolarHBondContact O-N 2.94Å
656I85.3Confident78Confident0 Ų055.8 Ų55.80%032%0.316CS..Hα-helixtrans-56.9-46.2174.5-68.3169.1000110.2F621 W629 F636 I647 L652 L653 R658 L659 E660 F675F621-I656 HydrophobicContact CE1-CG1 4.03Å; F621-I656 HydrophobicContact CZ-CG1 4.23Å; W629-I656 HydrophobicContact CH2-CB 4.19Å; W629-I656 HydrophobicContact CH2-CG1 4.37Å; W629-I656 HydrophobicContact CH2-CG2 3.73Å; W629-I656 HydrophobicContact CZ2-CG2 4.43Å; F636-I656 HydrophobicContact CD2-CD1 3.59Å; F636-I656 HydrophobicContact CD2-CG1 3.83Å; F636-I656 HydrophobicContact CD2-CG2 4.43Å; F636-I656 HydrophobicContact CE2-CD1 3.73Å; F636-I656 HydrophobicContact CE2-CG1 3.83Å; F636-I656 HydrophobicContact CG-CD1 4.27Å; F636-I656 HydrophobicContact CZ-CD1 4.48Å; I647-I656 HydrophobicContact CD1-CD1 3.98Å; I647-I656 HydrophobicContact CG2-CD1 4.38Å; L652-I656 HydrophobicContact CD1-CD1 3.77Å; L652-I656 HydrophobicContact CD1-CG1 4.15Å; L652-I656 HydrophobicContact CG-CD1 3.89Å; L652-I656 WeakPolarHBondContact O-CB 3.26Å; L652-I656 VanDerWaalsContact O-CG1 3.24Å; L652-I656 WeakPolarHBondContact O-CG1 3.32Å; L652-I656 PolarHBondContact O-N 3.21Å; L653-I656 PolarHBondContact O-N 3.39Å; I656-R658 VanDerWaalsContact C-N 3.34Å; I656-R658 PolarHBondContact O-N 2.8Å; I656-L659 PolarHBondContact O-N 3.38Å; I656-E660 WeakPolarHBondContact O-CB 3.41Å; I656-E660 PolarHBondContact O-N 2.94Å; I656-F675 HydrophobicContact CG2-CE1 3.52Å; I656-F675 HydrophobicContact CG2-CZ 3.39Å
657F85.2Confident76.8Confident70 Ų7058.5 Ų58.531%0.30733%0.333SS..Hα-helixtrans-59.1-44.3177.7-176.4-80.5000112.2L653 N654 T655 S661 L676 C679L653-F657 WeakPolarHBondContact O-CB 3.3Å; L653-F657 PolarHBondContact O-N 3.06Å; N654-F657 PolarHBondContact O-N 3.32Å; T655-F657 VanDerWaalsContact C-N 3.31Å; T655-F657 PolarHBondContact O-N 3.26Å; F657-S661 WeakPolarHBondContact CE1-OG 3.34Å; F657-S661 WeakPolarHBondContact O-CB 3.13Å; F657-S661 PolarHBondContact O-N 3.01Å; F657-S661 PolarHBondContact O-OG 3.4Å; F657-L676 HydrophobicContact CD2-CB 4.32Å; F657-L676 HydrophobicContact CD2-CD2 3.57Å; F657-L676 HydrophobicContact CE2-CB 3.92Å; F657-L676 HydrophobicContact CE2-CD2 3.68Å; F657-L676 HydrophobicContact CE2-CG 4.33Å; F657-L676 HydrophobicContact CG-CD2 4.02Å; F657-L676 HydrophobicContact CZ-CD2 4.2Å; F657-C679 HydrophobicContact CD2-CB 4.25Å
658R83Confident75.8Confident171 Ų17166 Ų6665%0.64537%0.373SS*.Hα-helixtrans-65.3-42.5178.3-74.4174.7-175.4-176.44.1112N654 T655 I656 S661 N662N654-R658 VanDerWaalsContact O-CG 3.3Å; N654-R658 WeakPolarHBondContact O-CG 3.3Å; N654-R658 PolarHBondContact O-N 2.95Å; T655-R658 PolarHBondContact O-N 3.44Å; I656-R658 VanDerWaalsContact C-N 3.34Å; I656-R658 PolarHBondContact O-N 2.8Å; R658-S661 PolarHBondContact O-N 2.93Å; R658-N662 WeakPolarHBondContact O-CB 3.32Å; R658-N662 PolarHBondContact O-N 3.39Å; R658-N662 PolarHBondContact O-ND2 3.36Å
659L81Confident75.5Confident20 Ų2066.6 Ų66.611%0.10538%0.375CS..Hα-helixtrans-60.8-51.3176.5-72.6171.8000110.8F621 I625 W629 T655 I656 S661 N662 V663F621-L659 HydrophobicContact CD1-CD1 3.9Å; F621-L659 HydrophobicContact CE1-CD1 4.24Å; I625-L659 HydrophobicContact CG2-CD1 4.01Å; W629-L659 HydrophobicContact CD2-CB 4.04Å; W629-L659 HydrophobicContact CD2-CD1 4.49Å; W629-L659 HydrophobicContact CE3-CB 4.05Å; W629-L659 HydrophobicContact CE3-CD1 3.72Å; W629-L659 HydrophobicContact CE3-CG 4.48Å; W629-L659 HydrophobicContact CH2-CB 3.96Å; W629-L659 HydrophobicContact CH2-CD1 4.26Å; W629-L659 HydrophobicContact CZ2-CB 3.97Å; W629-L659 HydrophobicContact CZ3-CB 4.01Å; W629-L659 HydrophobicContact CZ3-CD1 3.59Å; W629-L659 HydrophobicContact CZ3-CG 4.46Å; T655-L659 HydrophobicContact CG2-CD1 4.32Å; T655-L659 WeakPolarHBondContact O-CG 3.48Å; T655-L659 PolarHBondContact O-N 2.94Å; I656-L659 PolarHBondContact O-N 3.38Å; L659-S661 PolarHBondContact O-N 3.34Å; L659-N662 PolarHBondContact O-N 3.03Å; L659-N662 VanDerWaalsContact O-N 3.13Å; L659-V663 WeakPolarHBondContact O-CG2 3.24Å; L659-V663 PolarHBondContact O-N 3.41Å
660E84.8Confident75.3Confident0 Ų070.9 Ų70.90%041%0.406CS..Hα-helixtrans-60.3-35.4177.8-171.972.7175.700112W629 R633 I656 W669 R672 F675 L676W629-E660 HydrophobicContact CZ2-CB 4.02Å; W629-E660 WeakPolarHBondContact CZ2-OE2 3.35Å; W629-E660 PolarHBondContact NE1-OE2 2.88Å; R633-E660 IonicContact CZ-OE1 3.54Å; R633-E660 IonicContact NE-OE1 2.93Å; R633-E660 PolarHBondContact NE-OE1 3.01Å; R633-E660 IonicContact NE-OE2 3.43Å; R633-E660 PolarHBondContact NE-OE2 3.3Å; R633-E660 IonicContact NH2-OE1 2.75Å; R633-E660 PolarHBondContact NH2-OE1 3.18Å; R633-E660 VanDerWaalsContact NH2-OE1 3.09Å; I656-E660 WeakPolarHBondContact O-CB 3.41Å; I656-E660 PolarHBondContact O-N 2.94Å; E660-W669 VanDerWaalsContact CD-CZ3 3.46Å; E660-W669 WeakPolarHBondContact OE1-CZ3 3.23Å; E660-W669 WeakPolarHBondContact OE2-CZ3 3.28Å; E660-R672 HydrophobicContact CG-CG 4.11Å; E660-R672 VanDerWaalsContact O-CZ 3.29Å; E660-R672 PolarHBondContact O-NE 3.03Å; E660-R672 PolarHBondContact O-NH2 2.98Å; E660-F675 HydrophobicContact CB-CD1 4.21Å; E660-F675 HydrophobicContact CB-CE1 4.01Å; E660-F675 HydrophobicContact CG-CD1 3.76Å; E660-F675 HydrophobicContact CG-CE1 4.03Å; E660-L676 HydrophobicContact CB-CD2 3.79Å; E660-L676 HydrophobicContact CG-CD2 3.73Å; E660-L676 HydrophobicContact CG-CG 4.05Å
661S82.2Confident75.3Confident47 Ų4769.6 Ų69.633%0.32940%0.397SS..Hα-helixtrans-71.3-32.7178.1-60.90000113.1F657 R658 L659 R672F657-S661 WeakPolarHBondContact CE1-OG 3.34Å; F657-S661 WeakPolarHBondContact O-CB 3.13Å; F657-S661 PolarHBondContact O-N 3.01Å; F657-S661 PolarHBondContact O-OG 3.4Å; R658-S661 PolarHBondContact O-N 2.93Å; L659-S661 PolarHBondContact O-N 3.34Å; S661-R672 PolarHBondContact O-NH2 2.67Å
662N78.4Confident75.5Confident132 Ų13266.5 Ų66.571%0.70638%0.377SS*.Hα-helixtrans-86.4-12.9-176.9-70.3-21.2000113.6R658 L659 E664R658-N662 WeakPolarHBondContact O-CB 3.32Å; R658-N662 PolarHBondContact O-N 3.39Å; R658-N662 PolarHBondContact O-ND2 3.36Å; L659-N662 PolarHBondContact O-N 3.03Å; L659-N662 VanDerWaalsContact O-N 3.13Å; N662-E664 PolarHBondContact O-N 3.36Å
663V74.2Confident75.7Confident40 Ų4072.4 Ų72.424%0.24241%0.409CS..SBendtrans-67.9129.6177.4-178.50000110.2W629 L659 A665 W669 R672W629-V663 HydrophobicContact CG-CG2 4.28Å; L659-V663 WeakPolarHBondContact O-CG2 3.24Å; L659-V663 PolarHBondContact O-N 3.41Å; V663-A665 PolarHBondContact O-N 3.21Å; V663-W669 HydrophobicContact CB-CH2 3.69Å; V663-W669 HydrophobicContact CB-CZ3 3.64Å; V663-W669 HydrophobicContact CG1-CH2 3.4Å; V663-W669 VanDerWaalsContact CG1-CH2 3.4Å; V663-W669 HydrophobicContact CG1-CZ2 4.2Å; V663-W669 HydrophobicContact CG1-CZ3 3.71Å; V663-W669 HydrophobicContact CG2-CH2 3.72Å; V663-W669 HydrophobicContact CG2-CZ3 3.96Å; V663-R672 PolarHBondContact O-NH2 3.11Å
664E64.3Low75.6Confident174 Ų17475.9 Ų75.981%0.81343%0.43SS*.  trans-54.5134.1-179.8-66.4-174.4169.200110.9N662 G666 T667N662-E664 PolarHBondContact O-N 3.36Å; E664-G666 PolarHBondContact O-N 2.97Å; E664-T667 PolarHBondContact O-OG1 3.46Å
665A54.2Low75.7Confident93 Ų9373 Ų7377%0.76941%0.414SS*.THydrogen-bonded Turntrans-63.811.2-171.900000116V663V663-A665 PolarHBondContact O-N 3.21Å
666G56.7Low76Confident78 Ų7871.8 Ų71.880%0.80441%0.406SS*.THydrogen-bonded Turntrans-90.2-5.1-177.900000115.3E664E664-G666 PolarHBondContact O-N 2.97Å
667T60Low76.1Confident59 Ų5974.6 Ų74.636%0.36243%0.426SS..SBendtrans-92.5129.7175.125.50000110.3E664 W669E664-T667 PolarHBondContact O-OG1 3.46Å; T667-W669 VanDerWaalsContact C-N 3.27Å; T667-W669 HydrophobicContact CG2-CZ2 4.46Å; T667-W669 PolarHBondContact O-N 2.87Å
668D63.7Low76Confident159 Ų15977 Ų7785%0.8543%0.433SS*.  trans-73.176.5-174.8-164.38.7000111.3
669W73.6Confident76Confident34 Ų3469 Ų6913%0.12940%0.402CS..  trans-10769.8-177.5-66.2-12.5000110.9W629 V630 E660 V663 T667 D671 R672W629-W669 AromaticContact CD1-CH2 3.58Å; W629-W669 AromaticContact NE1-CH2 3.6Å; V630-W669 HydrophobicContact CG2-CZ2 4.27Å; E660-W669 VanDerWaalsContact CD-CZ3 3.46Å; E660-W669 WeakPolarHBondContact OE1-CZ3 3.23Å; E660-W669 WeakPolarHBondContact OE2-CZ3 3.28Å; V663-W669 HydrophobicContact CB-CH2 3.69Å; V663-W669 HydrophobicContact CB-CZ3 3.64Å; V663-W669 HydrophobicContact CG1-CH2 3.4Å; V663-W669 VanDerWaalsContact CG1-CH2 3.4Å; V663-W669 HydrophobicContact CG1-CZ2 4.2Å; V663-W669 HydrophobicContact CG1-CZ3 3.71Å; V663-W669 HydrophobicContact CG2-CH2 3.72Å; V663-W669 HydrophobicContact CG2-CZ3 3.96Å; T667-W669 VanDerWaalsContact C-N 3.27Å; T667-W669 HydrophobicContact CG2-CZ2 4.46Å; T667-W669 PolarHBondContact O-N 2.87Å; W669-D671 PolarHBondContact O-N 2.97Å; W669-R672 HydrophobicContact CB-CB 3.99Å; W669-R672 WeakPolarHBondContact O-CB 3.21Å; W669-R672 PolarHBondContact O-N 2.85Å
670S72.9Confident76.2Confident113 Ų11370.4 Ų70.479%0.7941%0.412SS*.THydrogen-bonded Turntrans-53.2-21.6177.161.80000114.5
671D79.4Confident76.3Confident38 Ų3874.2 Ų74.220%0.20343%0.433CS..THydrogen-bonded Turntrans-95.1-1.1179.161.8-22.2000114R633 L637 W669 D673 T674 F675R633-D671 IonicContact CZ-OD1 3.5Å; R633-D671 IonicContact CZ-OD2 3.36Å; R633-D671 IonicContact NH1-OD1 3.47Å; R633-D671 PolarHBondContact NH1-OD1 2.91Å; R633-D671 VanDerWaalsContact NH1-OD1 3.17Å; R633-D671 IonicContact NH1-OD2 3.17Å; R633-D671 PolarHBondContact NH1-OD2 2.85Å; R633-D671 VanDerWaalsContact NH2-CG 3.27Å; R633-D671 IonicContact NH2-OD1 3.61Å; R633-D671 PolarHBondContact NH2-OD1 3.45Å; R633-D671 IonicContact NH2-OD2 2.72Å; R633-D671 PolarHBondContact NH2-OD2 3.39Å; L637-D671 WeakPolarHBondContact CD2-OD2 3.37Å; W669-D671 PolarHBondContact O-N 2.97Å; D671-D673 PolarHBondContact O-N 2.73Å; D671-T674 CarbonylContact O-C 3.58Å; D671-T674 WeakPolarHBondContact O-CA 3.48Å; D671-T674 WeakPolarHBondContact O-CB 3.49Å; D671-T674 PolarHBondContact O-N 3.43Å; D671-F675 PolarHBondContact O-N 3.18Å
672R82.1Confident76.3Confident52 Ų5273.5 Ų73.520%0.19643%0.425CS..Hα-helixtrans-54-48-177.4-177176.7-172.2178.82.8113.1E660 S661 V663 W669 T674 F675 L676E660-R672 HydrophobicContact CG-CG 4.11Å; E660-R672 VanDerWaalsContact O-CZ 3.29Å; E660-R672 PolarHBondContact O-NE 3.03Å; E660-R672 PolarHBondContact O-NH2 2.98Å; S661-R672 PolarHBondContact O-NH2 2.67Å; V663-R672 PolarHBondContact O-NH2 3.11Å; W669-R672 HydrophobicContact CB-CB 3.99Å; W669-R672 WeakPolarHBondContact O-CB 3.21Å; W669-R672 PolarHBondContact O-N 2.85Å; R672-T674 VanDerWaalsContact C-N 3.25Å; R672-T674 PolarHBondContact O-N 3.14Å; R672-F675 WeakPolarHBondContact O-CB 3.16Å; R672-F675 PolarHBondContact O-N 2.87Å; R672-L676 HydrophobicContact CG-CD1 4.04Å; R672-L676 HydrophobicContact CG-CG 4.43Å; R672-L676 WeakPolarHBondContact O-CG 3.37Å; R672-L676 PolarHBondContact O-N 3.49Å
673D82.6Confident76.5Confident128 Ų12869.5 Ų69.568%0.68441%0.405SS*.Hα-helixtrans-62.8-37178.8-71-20.3000111.4D671 S677D671-D673 PolarHBondContact O-N 2.73Å; D673-S677 WeakPolarHBondContact O-CB 3.43Å; D673-S677 PolarHBondContact O-N 3.28Å
674T83.4Confident76.8Confident73 Ų7374.8 Ų74.845%0.44843%0.427SS..Hα-helixtrans-67.3-43.4176.5-58.20000110.7D671 R672 R678D671-T674 CarbonylContact O-C 3.58Å; D671-T674 WeakPolarHBondContact O-CA 3.48Å; D671-T674 WeakPolarHBondContact O-CB 3.49Å; D671-T674 PolarHBondContact O-N 3.43Å; R672-T674 VanDerWaalsContact C-N 3.25Å; R672-T674 PolarHBondContact O-N 3.14Å; T674-R678 HydrophobicContact CG2-CG 4.5Å; T674-R678 WeakPolarHBondContact O-CB 3.37Å; T674-R678 WeakPolarHBondContact O-CG 3.23Å; T674-R678 PolarHBondContact O-N 3.44Å
675F83.6Confident77.4Confident0 Ų069.2 Ų69.20%041%0.407CS..Hα-helixtrans-61.9-51.9177.5-176.4-92000111.7W629 F636 L637 I640 I656 E660 D671 R672 S677 R678 C679W629-F675 HydrophobicContact CZ2-CE1 4.48Å; F636-F675 HydrophobicContact CB-CE2 4.36Å; F636-F675 HydrophobicContact CB-CZ 4.43Å; L637-F675 HydrophobicContact CB-CD2 4.12Å; L637-F675 HydrophobicContact CB-CE2 4.15Å; L637-F675 HydrophobicContact CD1-CB 4.23Å; L637-F675 HydrophobicContact CD1-CD2 3.55Å; L637-F675 HydrophobicContact CD1-CE2 4.4Å; L637-F675 HydrophobicContact CD1-CG 4.36Å; L637-F675 HydrophobicContact CG-CD2 4.46Å; I640-F675 HydrophobicContact CD1-CD2 4.29Å; I640-F675 HydrophobicContact CD1-CE2 3.63Å; I640-F675 HydrophobicContact CD1-CZ 3.94Å; I656-F675 HydrophobicContact CG2-CE1 3.52Å; I656-F675 HydrophobicContact CG2-CZ 3.39Å; E660-F675 HydrophobicContact CB-CD1 4.21Å; E660-F675 HydrophobicContact CB-CE1 4.01Å; E660-F675 HydrophobicContact CG-CD1 3.76Å; E660-F675 HydrophobicContact CG-CE1 4.03Å; D671-F675 PolarHBondContact O-N 3.18Å; R672-F675 WeakPolarHBondContact O-CB 3.16Å; R672-F675 PolarHBondContact O-N 2.87Å; F675-S677 PolarHBondContact O-N 3.48Å; F675-R678 PolarHBondContact O-N 3.42Å; F675-C679 PolarHBondContact O-N 2.77Å; F675-C679 PolarHBondContact O-SG 2.72Å; F675-C679 VanDerWaalsContact O-SG 3.38Å
676L86.4Confident78.2Confident26 Ų2672.2 Ų72.214%0.13640%0.403CS..Hα-helixtrans-61.9-41.8178.4-69.2175.4000112.2F657 E660 R672 R678 C679 T680F657-L676 HydrophobicContact CD2-CB 4.32Å; F657-L676 HydrophobicContact CD2-CD2 3.57Å; F657-L676 HydrophobicContact CE2-CB 3.92Å; F657-L676 HydrophobicContact CE2-CD2 3.68Å; F657-L676 HydrophobicContact CE2-CG 4.33Å; F657-L676 HydrophobicContact CG-CD2 4.02Å; F657-L676 HydrophobicContact CZ-CD2 4.2Å; E660-L676 HydrophobicContact CB-CD2 3.79Å; E660-L676 HydrophobicContact CG-CD2 3.73Å; E660-L676 HydrophobicContact CG-CG 4.05Å; R672-L676 HydrophobicContact CG-CD1 4.04Å; R672-L676 HydrophobicContact CG-CG 4.43Å; R672-L676 WeakPolarHBondContact O-CG 3.37Å; R672-L676 PolarHBondContact O-N 3.49Å; L676-R678 VanDerWaalsContact C-N 3.35Å; L676-C679 PolarHBondContact O-N 3.29Å; L676-T680 WeakPolarHBondContact O-CB 3.27Å; L676-T680 PolarHBondContact O-N 3.41Å; L676-T680 PolarHBondContact O-OG1 3.24Å
677S85.7Confident78.7Confident60 Ų6070.9 Ų70.942%0.4238%0.38SS..Hα-helixtrans-60.8-44.1174.9178.70000111.3D673 F675 T680 N681D673-S677 WeakPolarHBondContact O-CB 3.43Å; D673-S677 PolarHBondContact O-N 3.28Å; F675-S677 PolarHBondContact O-N 3.48Å; S677-T680 PolarHBondContact O-N 3.04Å; S677-N681 WeakPolarHBondContact O-CB 3.18Å; S677-N681 PolarHBondContact O-N 3.26Å; S677-N681 PolarHBondContact O-ND2 2.88Å; S677-N681 VanDerWaalsContact O-ND2 3.14Å
678R83Confident79Confident121 Ų12170.1 Ų70.146%0.45738%0.376SS..Hα-helixtrans-64.3-45.3176.8-75.2-72.3-176163.73112.6I640 T674 F675 L676 T680 N681 L682I640-R678 HydrophobicContact CG2-CB 3.51Å; I640-R678 HydrophobicContact CG2-CG 4.27Å; T674-R678 HydrophobicContact CG2-CG 4.5Å; T674-R678 WeakPolarHBondContact O-CB 3.37Å; T674-R678 WeakPolarHBondContact O-CG 3.23Å; T674-R678 PolarHBondContact O-N 3.44Å; F675-R678 PolarHBondContact O-N 3.42Å; L676-R678 VanDerWaalsContact C-N 3.35Å; R678-T680 VanDerWaalsContact C-N 3.28Å; R678-T680 PolarHBondContact O-N 3.45Å; R678-N681 PolarHBondContact O-N 3.27Å; R678-L682 WeakPolarHBondContact O-CG 3.38Å; R678-L682 PolarHBondContact O-N 3.47Å
679C84.5Confident79Confident1 Ų168.4 Ų68.41%0.00737%0.367CS..Hα-helixtrans-56.2-45.7174.2-68.90000111.3F657 F675 L676 N681 L682 V683F657-C679 HydrophobicContact CD2-CB 4.25Å; F675-C679 PolarHBondContact O-N 2.77Å; F675-C679 PolarHBondContact O-SG 2.72Å; F675-C679 VanDerWaalsContact O-SG 3.38Å; L676-C679 PolarHBondContact O-N 3.29Å; C679-N681 PolarHBondContact O-N 3.35Å; C679-L682 PolarHBondContact O-N 3.18Å; C679-V683 WeakPolarHBondContact O-CG2 3.38Å; C679-V683 PolarHBondContact O-N 3.01Å
680T85.3Confident78.9Confident50 Ų5068.6 Ų68.631%0.30738%0.376SS..Hα-helixtrans-61.1-45.1178-53.90000111.7L676 S677 R678 L682 V683 Q684L676-T680 WeakPolarHBondContact O-CB 3.27Å; L676-T680 PolarHBondContact O-N 3.41Å; L676-T680 PolarHBondContact O-OG1 3.24Å; S677-T680 PolarHBondContact O-N 3.04Å; R678-T680 VanDerWaalsContact C-N 3.28Å; R678-T680 PolarHBondContact O-N 3.45Å; T680-L682 VanDerWaalsContact C-N 3.32Å; T680-L682 PolarHBondContact O-N 3.41Å; T680-V683 PolarHBondContact O-N 3.02Å; T680-Q684 WeakPolarHBondContact O-CG 3.17Å; T680-Q684 PolarHBondContact O-N 3.37Å; T680-Q684 VanDerWaalsContact O-N 3.09Å
681N85.2Confident78.9Confident81 Ų8163.4 Ų63.443%0.43334%0.34SS..Hα-helixtrans-63.2-38.1177.9-68.5-28.4000111.9S677 R678 C679 Q684 S685S677-N681 WeakPolarHBondContact O-CB 3.18Å; S677-N681 PolarHBondContact O-N 3.26Å; S677-N681 PolarHBondContact O-ND2 2.88Å; S677-N681 VanDerWaalsContact O-ND2 3.14Å; R678-N681 PolarHBondContact O-N 3.27Å; C679-N681 PolarHBondContact O-N 3.35Å; N681-Q684 PolarHBondContact O-N 3.18Å; N681-S685 WeakPolarHBondContact O-CB 3.23Å; N681-S685 PolarHBondContact O-N 3.08Å
682L84.2Confident78.6Confident31 Ų3162.1 Ų62.116%0.16233%0.333CS..Hα-helixtrans-68.2-40.8177.5-70.8169.6000112.1I640 T645 L653 R678 C679 T680 Q684 S685I640-L682 HydrophobicContact CG1-CD1 4.32Å; I640-L682 HydrophobicContact CG2-CD1 4.01Å; T645-L682 HydrophobicContact CG2-CD1 3.63Å; T645-L682 HydrophobicContact CG2-CD2 3.7Å; T645-L682 HydrophobicContact CG2-CG 4.32Å; L653-L682 HydrophobicContact CD1-CB 3.67Å; L653-L682 HydrophobicContact CD2-CB 4.11Å; L653-L682 HydrophobicContact CD2-CD1 3.98Å; R678-L682 WeakPolarHBondContact O-CG 3.38Å; R678-L682 PolarHBondContact O-N 3.47Å; C679-L682 PolarHBondContact O-N 3.18Å; T680-L682 VanDerWaalsContact C-N 3.32Å; T680-L682 PolarHBondContact O-N 3.41Å; L682-Q684 PolarHBondContact O-N 3.29Å; L682-S685 WeakPolarHBondContact CA-OG 3.4Å; L682-S685 PolarHBondContact O-N 3.41Å; L682-S685 VanDerWaalsContact O-N 3.09Å; L682-S685 PolarHBondContact O-OG 3.45Å
683V81Confident78.4Confident48 Ų4861.5 Ų61.529%0.29134%0.337SS..Hα-helixtrans-61.3-35.7173.9170.80000111.7V650 L653 C679 T680V650-V683 HydrophobicContact CG1-CG1 4.08Å; L653-V683 HydrophobicContact CB-CG2 3.52Å; L653-V683 HydrophobicContact CD1-CG2 3.9Å; L653-V683 HydrophobicContact CG-CG2 4.33Å; C679-V683 WeakPolarHBondContact O-CG2 3.38Å; C679-V683 PolarHBondContact O-N 3.01Å; T680-V683 PolarHBondContact O-N 3.02Å
684Q81.3Confident78.4Confident151 Ų15156.5 Ų56.571%0.70631%0.311SS*.Hα-helixtrans-79.8-19.1176.8-68.1176.93.900113.1T680 N681 L682T680-Q684 WeakPolarHBondContact O-CG 3.17Å; T680-Q684 PolarHBondContact O-N 3.37Å; T680-Q684 VanDerWaalsContact O-N 3.09Å; N681-Q684 PolarHBondContact O-N 3.18Å; L682-Q684 PolarHBondContact O-N 3.29Å
685S77Confident78.5Confident57 Ų5753.1 Ų53.140%0.39929%0.29SS..SBendtrans-77.6149179.676.60000111.2N681 L682N681-S685 WeakPolarHBondContact O-CB 3.23Å; N681-S685 PolarHBondContact O-N 3.08Å; L682-S685 WeakPolarHBondContact CA-OG 3.4Å; L682-S685 PolarHBondContact O-N 3.41Å; L682-S685 VanDerWaalsContact O-N 3.09Å; L682-S685 PolarHBondContact O-OG 3.45Å
686K69.9Low78.4Confident156 Ų15654.4 Ų54.468%0.67830%0.296SS*.PPolyproline II helixtrans-68.8130171.2-167.7-171.7-179.3-145.30108D689K686-D689 IonicContact NZ-OD1 3.05Å; K686-D689 PolarHBondContact NZ-OD1 2.98Å; K686-D689 IonicContact NZ-OD2 3.42Å
687P68.1Low78.3Confident50 Ų5056.8 Ų56.833%0.32531%0.306SS..PPolyproline II helixtrans-58.3147.6176.423.3-32.9000110.3D689P687-D689 PolarHBondContact O-N 3.07Å
688P65.4Low78.5Confident44 Ų4453.9 Ų53.929%0.28629%0.286SS..PPolyproline II helixtrans-55.6135.9-174.221.6-31.5000110.7K603 F648 A690 V691 V694K603-P688 WeakPolarHBondContact CE-O 3.4Å; K603-P688 PolarHBondContact NZ-O 2.72Å; F648-P688 HydrophobicContact CB-CG 4.31Å; F648-P688 HydrophobicContact CD1-CG 4.24Å; F648-P688 HydrophobicContact CG-CG 4.24Å; P688-A690 PolarHBondContact O-N 2.82Å; P688-V691 HydrophobicContact CG-CG2 4.13Å; P688-V694 HydrophobicContact CB-CG2 4.04Å; P688-V694 HydrophobicContact CG-CG2 3.95Å
689D64.1Low78.6Confident122 Ų12248.1 Ų48.165%0.65226%0.264SS*.SBendtrans-62.6-29.3-178.5-74.2-29.4000111.6K686 P687K686-D689 IonicContact NZ-OD1 3.05Å; K686-D689 PolarHBondContact NZ-OD1 2.98Å; K686-D689 IonicContact NZ-OD2 3.42Å; P687-D689 PolarHBondContact O-N 3.07Å
690A72.4Confident78.6Confident39 Ų3950.5 Ų50.532%0.32228%0.275SS..  trans-112.171.1178.200000112.6P688 D692 S693 V694P688-A690 PolarHBondContact O-N 2.82Å; A690-D692 PolarHBondContact O-N 3.49Å; A690-S693 WeakPolarHBondContact CB-OG 3.43Å; A690-S693 WeakPolarHBondContact O-CB 3.43Å; A690-S693 PolarHBondContact O-N 2.98Å; A690-V694 PolarHBondContact O-N 2.94Å
691V73.4Confident78.6Confident4 Ų452.8 Ų52.82%0.02429%0.285CS..Hα-helixtrans-57.3-37.2177.1163.10000112.3K603 F648 P688 S693 V694 L695K603-V691 HydrophobicContact CB-CB 4.38Å; K603-V691 HydrophobicContact CB-CG1 4.49Å; K603-V691 HydrophobicContact CB-CG2 3.92Å; K603-V691 HydrophobicContact CD-CB 4.41Å; K603-V691 HydrophobicContact CD-CG2 3.6Å; K603-V691 HydrophobicContact CG-CG2 3.7Å; F648-V691 HydrophobicContact CD2-CG2 4.14Å; F648-V691 HydrophobicContact CE1-CG1 4.28Å; F648-V691 HydrophobicContact CE2-CB 4.45Å; F648-V691 HydrophobicContact CE2-CG1 3.75Å; F648-V691 HydrophobicContact CE2-CG2 3.79Å; F648-V691 HydrophobicContact CZ-CB 4.34Å; F648-V691 HydrophobicContact CZ-CG1 3.44Å; F648-V691 VanDerWaalsContact CZ-CG1 3.44Å; F648-V691 HydrophobicContact CZ-CG2 4.07Å; P688-V691 HydrophobicContact CG-CG2 4.13Å; V691-S693 VanDerWaalsContact C-N 3.25Å; V691-S693 PolarHBondContact O-N 2.81Å; V691-V694 PolarHBondContact O-N 2.7Å; V691-V694 VanDerWaalsContact O-N 3.13Å; V691-L695 HydrophobicContact CG1-CD1 3.85Å; V691-L695 HydrophobicContact CG1-CG 4.23Å; V691-L695 WeakPolarHBondContact O-CG 3.43Å; V691-L695 PolarHBondContact O-N 3.49Å
692D71.6Confident78.7Confident11 Ų1150 Ų506%0.05927%0.269CS..Hα-helixtrans-58.6-36.517459.3-48.2000112.4R559 Q560 V563 F604 A690 E696R559-D692 IonicContact CZ-OD2 3.35Å; R559-D692 VanDerWaalsContact NH1-CG 3.33Å; R559-D692 IonicContact NH1-OD1 3.62Å; R559-D692 IonicContact NH1-OD2 2.87Å; R559-D692 PolarHBondContact NH1-OD2 3.44Å; Q560-D692 HydrophobicContact CB-CB 4.37Å; Q560-D692 HydrophobicContact CG-CB 3.82Å; Q560-D692 VanDerWaalsContact CG-CG 3.4Å; Q560-D692 VanDerWaalsContact CG-OD2 3.24Å; Q560-D692 WeakPolarHBondContact CG-OD2 2.9Å; V563-D692 HydrophobicContact CB-CB 4.26Å; V563-D692 HydrophobicContact CG1-CB 4.35Å; V563-D692 HydrophobicContact CG2-CB 4.41Å; F604-D692 HydrophobicContact CZ-CB 4.33Å; A690-D692 PolarHBondContact O-N 3.49Å; D692-E696 VanDerWaalsContact O-CB 3.3Å; D692-E696 WeakPolarHBondContact O-CB 3.35Å; D692-E696 PolarHBondContact O-N 3.47Å
693S79Confident78.7Confident39 Ų3950.5 Ų50.527%0.27328%0.275SS..Hα-helixtrans-65.6-42.4173.4-59.60000113.4R559 A690 V691 L695 E696 E697R559-S693 VanDerWaalsContact CZ-OG 3.27Å; R559-S693 PolarHBondContact NH1-OG 3.37Å; R559-S693 VanDerWaalsContact NH2-CB 3.33Å; R559-S693 PolarHBondContact NH2-OG 3.47Å; A690-S693 WeakPolarHBondContact CB-OG 3.43Å; A690-S693 WeakPolarHBondContact O-CB 3.43Å; A690-S693 PolarHBondContact O-N 2.98Å; V691-S693 VanDerWaalsContact C-N 3.25Å; V691-S693 PolarHBondContact O-N 2.81Å; S693-L695 VanDerWaalsContact C-N 3.34Å; S693-E696 PolarHBondContact O-N 3.12Å; S693-E697 WeakPolarHBondContact O-CB 3.44Å; S693-E697 PolarHBondContact O-N 3.04Å
694V82.8Confident78.8Confident23 Ų2351.3 Ų51.314%0.13928%0.283CS..Hα-helixtrans-67.2-39.9-178.2177.40000110.3F646 F648 P688 A690 V691 F698F646-V694 HydrophobicContact CD1-CG1 3.74Å; F646-V694 HydrophobicContact CE1-CG1 4.45Å; F648-V694 HydrophobicContact CD1-CG1 4.32Å; F648-V694 HydrophobicContact CE1-CG1 4.13Å; P688-V694 HydrophobicContact CB-CG2 4.04Å; P688-V694 HydrophobicContact CG-CG2 3.95Å; A690-V694 PolarHBondContact O-N 2.94Å; V691-V694 PolarHBondContact O-N 2.7Å; V691-V694 VanDerWaalsContact O-N 3.13Å; V694-F698 WeakPolarHBondContact O-CB 3.48Å; V694-F698 PolarHBondContact O-N 3.28Å
695L84.2Confident79Confident1 Ų146.7 Ų46.71%0.00526%0.263CS..Hα-helixtrans-71.5-39.5177-68.8175.8000112.6V563 V600 F648 V691 S693 F698 I699V563-L695 HydrophobicContact CG1-CB 3.69Å; V563-L695 HydrophobicContact CG1-CD1 4.49Å; V600-L695 HydrophobicContact CB-CD1 3.65Å; V600-L695 HydrophobicContact CG2-CD1 3.57Å; F648-L695 HydrophobicContact CE1-CD2 4.49Å; F648-L695 HydrophobicContact CZ-CD2 4.4Å; F648-L695 HydrophobicContact CZ-CG 4.47Å; V691-L695 HydrophobicContact CG1-CD1 3.85Å; V691-L695 HydrophobicContact CG1-CG 4.23Å; V691-L695 WeakPolarHBondContact O-CG 3.43Å; V691-L695 PolarHBondContact O-N 3.49Å; S693-L695 VanDerWaalsContact C-N 3.34Å; L695-F698 PolarHBondContact O-N 2.9Å; L695-I699 WeakPolarHBondContact O-CB 3.27Å; L695-I699 WeakPolarHBondContact O-CD1 3.14Å; L695-I699 VanDerWaalsContact O-CG1 3.24Å; L695-I699 WeakPolarHBondContact O-CG1 3.01Å; L695-I699 PolarHBondContact O-N 3.23Å
696E81.6Confident79.4Confident27 Ų2744 Ų4413%0.12624%0.244CC..Hα-helixtrans-57-50.9171.1172.7-176.9162.100110.9L535 R559 V563 D692 S693 F698 I699 H700L535-E696 HydrophobicContact CD1-CB 4.49Å; L535-E696 VanDerWaalsContact CD1-CD 3.42Å; L535-E696 HydrophobicContact CD1-CG 3.56Å; R559-E696 IonicContact CZ-OE2 3.53Å; R559-E696 IonicContact NE-OE2 3.58Å; R559-E696 PolarHBondContact NE-OE2 2.95Å; R559-E696 IonicContact NH2-OE2 3.8Å; R559-E696 PolarHBondContact NH2-OE2 3.36Å; V563-E696 HydrophobicContact CG2-CB 4.09Å; D692-E696 VanDerWaalsContact O-CB 3.3Å; D692-E696 WeakPolarHBondContact O-CB 3.35Å; D692-E696 PolarHBondContact O-N 3.47Å; S693-E696 PolarHBondContact O-N 3.12Å; E696-F698 VanDerWaalsContact C-N 3.29Å; E696-F698 PolarHBondContact O-N 3.31Å; E696-I699 PolarHBondContact O-N 2.92Å; E696-H700 PolarHBondContact O-CD2 3.23Å; E696-H700 VanDerWaalsContact O-CD2 3.29Å; E696-H700 PolarHBondContact O-N 3.45Å; E696-H700 IonicContact OE1-NE2 3.96Å
697E84.8Confident79.9Confident76 Ų7637.1 Ų37.136%0.35522%0.216SC..Hα-helixtrans-60.1-42.5179-174.7179.6177.700111.3H644 F646 S693 H700 L701H644-E697 IonicContact CD2-OE1 3.68Å; H644-E697 PolarHBondContact CD2-OE1 3.46Å; H644-E697 IonicContact CG-OE1 3.09Å; H644-E697 IonicContact NE2-OE1 2.82Å; F646-E697 HydrophobicContact CE1-CB 4.3Å; F646-E697 HydrophobicContact CE1-CG 4.15Å; F646-E697 HydrophobicContact CZ-CG 4.4Å; S693-E697 WeakPolarHBondContact O-CB 3.44Å; S693-E697 PolarHBondContact O-N 3.04Å; E697-H700 PolarHBondContact O-N 3.26Å; E697-L701 WeakPolarHBondContact O-CB 3.25Å; E697-L701 PolarHBondContact O-N 2.91Å
698F88.9Confident80.6Confident0 Ų039.7 Ų39.70%023%0.226CC..Hα-helixtrans-59.6-49.1175179.7-102.2000112.3L593 I596 L597 W639 F646 V694 L695 E696 H700 L701 E702L593-F698 HydrophobicContact CD2-CE1 4.2Å; L593-F698 HydrophobicContact CD2-CZ 3.75Å; I596-F698 HydrophobicContact CB-CD1 4.27Å; I596-F698 HydrophobicContact CB-CE1 3.68Å; I596-F698 HydrophobicContact CB-CE2 3.99Å; I596-F698 HydrophobicContact CB-CZ 3.5Å; I596-F698 HydrophobicContact CG1-CE1 4.36Å; I596-F698 HydrophobicContact CG1-CE2 3.89Å; I596-F698 HydrophobicContact CG1-CZ 3.66Å; I596-F698 HydrophobicContact CG2-CD1 3.66Å; I596-F698 HydrophobicContact CG2-CD2 3.74Å; I596-F698 HydrophobicContact CG2-CE1 3.59Å; I596-F698 HydrophobicContact CG2-CE2 3.66Å; I596-F698 HydrophobicContact CG2-CG 3.72Å; I596-F698 HydrophobicContact CG2-CZ 3.57Å; L597-F698 HydrophobicContact CD2-CD1 3.81Å; L597-F698 HydrophobicContact CD2-CE1 4.04Å; L597-F698 HydrophobicContact CG-CD1 4.32Å; L597-F698 HydrophobicContact CG-CE1 4.04Å; W639-F698 HydrophobicContact CD2-CE2 4.13Å; W639-F698 AromaticContact CE2-CE2 3.76Å; W639-F698 HydrophobicContact CE3-CE2 4.49Å; W639-F698 HydrophobicContact CH2-CE2 4.24Å; W639-F698 HydrophobicContact CH2-CZ 4.1Å; W639-F698 AromaticContact CZ2-CE2 3.84Å; W639-F698 HydrophobicContact CZ2-CE2 3.84Å; W639-F698 HydrophobicContact CZ2-CZ 4.04Å; F646-F698 HydrophobicContact CB-CD2 3.97Å; F646-F698 HydrophobicContact CD1-CB 3.65Å; F646-F698 AromaticContact CD1-CD2 3.96Å; F646-F698 HydrophobicContact CD1-CD2 3.96Å; F646-F698 HydrophobicContact CD1-CG 4.26Å; F646-F698 AromaticContact CD2-CD2 3.92Å; F646-F698 HydrophobicContact CD2-CD2 3.92Å; F646-F698 HydrophobicContact CE1-CB 3.9Å; F646-F698 HydrophobicContact CE1-CD2 4.46Å; F646-F698 HydrophobicContact CE2-CD2 4.41Å; F646-F698 HydrophobicContact CG-CB 4.24Å; F646-F698 AromaticContact CG-CD2 3.67Å; F646-F698 HydrophobicContact CG-CD2 3.67Å; F646-F698 HydrophobicContact CG-CG 4.38Å; V694-F698 WeakPolarHBondContact O-CB 3.48Å; V694-F698 PolarHBondContact O-N 3.28Å; L695-F698 PolarHBondContact O-N 2.9Å; E696-F698 VanDerWaalsContact C-N 3.29Å; E696-F698 PolarHBondContact O-N 3.31Å; F698-H700 PolarHBondContact O-N 3.19Å; F698-L701 PolarHBondContact O-N 2.87Å; F698-E702 HydrophobicContact CD2-CG 3.97Å; F698-E702 HydrophobicContact CE1-CG 4.48Å; F698-E702 HydrophobicContact CE2-CB 4.49Å; F698-E702 HydrophobicContact CE2-CG 3.57Å; F698-E702 HydrophobicContact CZ-CB 4.38Å; F698-E702 HydrophobicContact CZ-CG 3.87Å; F698-E702 WeakPolarHBondContact O-CB 3.45Å; F698-E702 PolarHBondContact O-N 3.25Å
699I86.3Confident81.4Confident0 Ų037.6 Ų37.60%021%0.213CC..Hα-helixtrans-59-39.1178.4-70.6163.2000110.6L528 F531 V566 I570 L597 L695 E696 S703 I706L528-I699 HydrophobicContact CD2-CG2 3.61Å; F531-I699 HydrophobicContact CD1-CG2 4.18Å; F531-I699 HydrophobicContact CE1-CB 4.38Å; F531-I699 HydrophobicContact CE1-CD1 4.14Å; F531-I699 HydrophobicContact CE1-CG2 3.9Å; F531-I699 HydrophobicContact CZ-CD1 4.39Å; V566-I699 HydrophobicContact CG1-CD1 4.13Å; I570-I699 HydrophobicContact CD1-CG2 4.39Å; L597-I699 HydrophobicContact CD2-CD1 4.07Å; L597-I699 HydrophobicContact CD2-CG1 3.69Å; L695-I699 WeakPolarHBondContact O-CB 3.27Å; L695-I699 WeakPolarHBondContact O-CD1 3.14Å; L695-I699 VanDerWaalsContact O-CG1 3.24Å; L695-I699 WeakPolarHBondContact O-CG1 3.01Å; L695-I699 PolarHBondContact O-N 3.23Å; E696-I699 PolarHBondContact O-N 2.92Å; I699-S703 VanDerWaalsContact O-CA 3.3Å; I699-S703 WeakPolarHBondContact O-CA 3.4Å; I699-S703 WeakPolarHBondContact O-CB 3.49Å; I699-S703 PolarHBondContact O-N 3.17Å; I699-S703 VanDerWaalsContact O-N 3.12Å; I699-I706 HydrophobicContact CG2-CD1 4.47Å
700H83.5Confident81.9Confident51 Ų5131.9 Ų31.924%0.23618%0.182CC..Hα-helixtrans-72.8-38.6177.4-72-36.2000113.5F531 E696 E697 F698 S703F531-H700 AromaticContact CD1-CE1 3.98Å; E696-H700 PolarHBondContact O-CD2 3.23Å; E696-H700 VanDerWaalsContact O-CD2 3.29Å; E696-H700 PolarHBondContact O-N 3.45Å; E696-H700 IonicContact OE1-NE2 3.96Å; E697-H700 PolarHBondContact O-N 3.26Å; F698-H700 PolarHBondContact O-N 3.19Å; H700-S703 PolarHBondContact O-OG 2.8Å
701L85.4Confident82Confident97 Ų9731.6 Ų31.651%0.50818%0.179SC..Hα-helixtrans-68.6-42.7178.7-177.368.7000111.5F646 E697 F698 S703F646-L701 HydrophobicContact CE2-CD2 3.58Å; F646-L701 HydrophobicContact CZ-CD2 3.7Å; E697-L701 WeakPolarHBondContact O-CB 3.25Å; E697-L701 PolarHBondContact O-N 2.91Å; F698-L701 PolarHBondContact O-N 2.87Å; L701-S703 VanDerWaalsContact C-N 3.35Å
702E88.3Confident81.8Confident22 Ų2232.4 Ų32.410%0.10319%0.185CC..THydrogen-bonded Turntrans-95.913.6-175.9-63.1-65.8159.500112.6L593 W639 F698 S704 N705 I706L593-E702 HydrophobicContact CD2-CB 3.88Å; L593-E702 HydrophobicContact CD2-CG 4.12Å; W639-E702 HydrophobicContact CZ2-CG 4.28Å; W639-E702 PolarHBondContact NE1-OE1 3.05Å; F698-E702 HydrophobicContact CD2-CG 3.97Å; F698-E702 HydrophobicContact CE1-CG 4.48Å; F698-E702 HydrophobicContact CE2-CB 4.49Å; F698-E702 HydrophobicContact CE2-CG 3.57Å; F698-E702 HydrophobicContact CZ-CB 4.38Å; F698-E702 HydrophobicContact CZ-CG 3.87Å; F698-E702 WeakPolarHBondContact O-CB 3.45Å; F698-E702 PolarHBondContact O-N 3.25Å; E702-S704 VanDerWaalsContact C-N 3.26Å; E702-S704 PolarHBondContact O-N 3.1Å; E702-S704 VanDerWaalsContact O-N 3.16Å; E702-N705 PolarHBondContact O-N 2.97Å; E702-N705 PolarHBondContact OE2-ND2 3.4Å; E702-I706 HydrophobicContact CB-CD1 4.3Å; E702-I706 HydrophobicContact CB-CG1 4.45Å; E702-I706 WeakPolarHBondContact O-CG1 3.06Å; E702-I706 PolarHBondContact O-N 3.32Å
703S83.9Confident81.4Confident42 Ų4234.1 Ų34.129%0.29419%0.194SC..Hα-helixtrans-54.1-41.9-172.968.70000112.5I699 H700 L701 I706 S707I699-S703 VanDerWaalsContact O-CA 3.3Å; I699-S703 WeakPolarHBondContact O-CA 3.4Å; I699-S703 WeakPolarHBondContact O-CB 3.49Å; I699-S703 PolarHBondContact O-N 3.17Å; I699-S703 VanDerWaalsContact O-N 3.12Å; H700-S703 PolarHBondContact O-OG 2.8Å; L701-S703 VanDerWaalsContact C-N 3.35Å; S703-I706 PolarHBondContact O-N 2.97Å; S703-S707 WeakPolarHBondContact O-CB 3.21Å; S703-S707 PolarHBondContact O-N 3.44Å; S703-S707 PolarHBondContact O-OG 3.35Å
704S83.8Confident80.3Confident65 Ų6535.5 Ų35.546%0.45520%0.197SC..Hα-helixtrans-64.9-40.917858.20000112.5E702 S707 I708E702-S704 VanDerWaalsContact C-N 3.26Å; E702-S704 PolarHBondContact O-N 3.1Å; E702-S704 VanDerWaalsContact O-N 3.16Å; S704-S707 PolarHBondContact O-N 2.87Å; S704-I708 WeakPolarHBondContact O-CB 3.3Å; S704-I708 WeakPolarHBondContact O-CD1 3.33Å; S704-I708 WeakPolarHBondContact O-CG1 3.48Å; S704-I708 PolarHBondContact O-N 2.54Å
705N85.8Confident78.4Confident54 Ų5441.7 Ų41.729%0.28924%0.241SC..Hα-helixtrans-72.1-38.9-179.1-67.9-26.4000110.8L593 E702 I708 C709L593-N705 HydrophobicContact CD1-CB 4.23Å; E702-N705 PolarHBondContact O-N 2.97Å; E702-N705 PolarHBondContact OE2-ND2 3.4Å; N705-I708 PolarHBondContact O-N 2.75Å; N705-C709 WeakPolarHBondContact O-CB 3.45Å; N705-C709 PolarHBondContact O-N 2.95Å; N705-C709 PolarHBondContact O-SG 2.98Å
706I84.7Confident78.1Confident1 Ų143.8 Ų43.81%0.00525%0.253CS..Hα-helixtrans-58.7-51.1171.5-67.1167.7000109.7I570 L593 I699 E702 S703 I708 C709 L710I570-I706 HydrophobicContact CD1-CG2 4.45Å; I570-I706 HydrophobicContact CG2-CG2 3.72Å; L593-I706 HydrophobicContact CD1-CG1 4.03Å; L593-I706 HydrophobicContact CD2-CG1 4.27Å; I699-I706 HydrophobicContact CG2-CD1 4.47Å; E702-I706 HydrophobicContact CB-CD1 4.3Å; E702-I706 HydrophobicContact CB-CG1 4.45Å; E702-I706 WeakPolarHBondContact O-CG1 3.06Å; E702-I706 PolarHBondContact O-N 3.32Å; S703-I706 PolarHBondContact O-N 2.97Å; I706-I708 PolarHBondContact O-N 3.02Å; I706-C709 PolarHBondContact O-N 2.95Å; I706-L710 HydrophobicContact CG2-CD1 3.62Å; I706-L710 HydrophobicContact CG2-CG 4.21Å; I706-L710 WeakPolarHBondContact O-CB 3.33Å; I706-L710 VanDerWaalsContact O-CG 3.28Å; I706-L710 WeakPolarHBondContact O-CG 3.4Å; I706-L710 PolarHBondContact O-N 3.47Å
707S79.7Confident77.9Confident12 Ų1244.6 Ų44.68%0.08426%0.259CS..Hα-helixtrans-60.2-43.1178.8-69.40000112.7D525 S703 S704 C709 L710 A711D525-S707 WeakPolarHBondContact OD1-CB 3.47Å; D525-S707 PolarHBondContact OD1-OG 2.88Å; S703-S707 WeakPolarHBondContact O-CB 3.21Å; S703-S707 PolarHBondContact O-N 3.44Å; S703-S707 PolarHBondContact O-OG 3.35Å; S704-S707 PolarHBondContact O-N 2.87Å; S707-C709 PolarHBondContact O-N 3.37Å; S707-L710 PolarHBondContact O-N 3.21Å; S707-A711 VanDerWaalsContact O-CB 3.23Å; S707-A711 WeakPolarHBondContact O-CB 3.3Å; S707-A711 PolarHBondContact O-N 3.44Å
708I82.6Confident77.6Confident104 Ų10442.9 Ų42.953%0.53325%0.254SS..Hα-helixtrans-60.6-45.2176.2-71.1163.1000110.9S704 N705 I706 A711S704-I708 WeakPolarHBondContact O-CB 3.3Å; S704-I708 WeakPolarHBondContact O-CD1 3.33Å; S704-I708 WeakPolarHBondContact O-CG1 3.48Å; S704-I708 PolarHBondContact O-N 2.54Å; N705-I708 PolarHBondContact O-N 2.75Å; I706-I708 PolarHBondContact O-N 3.02Å; I708-A711 PolarHBondContact O-N 3.27Å
709C82.4Confident76.9Confident0 Ų045.4 Ų45.40%027%0.269CS..Hα-helixtrans-63.4-49.7178.1-670000111.1L574 I577 L586 D589 N705 I706 S707 A711 S712L574-C709 HydrophobicContact CD2-CB 3.42Å; L574-C709 VanDerWaalsContact CD2-CB 3.42Å; I577-C709 VanDerWaalsContact CD1-O 3.26Å; I577-C709 WeakPolarHBondContact CD1-O 3.46Å; L586-C709 HydrophobicContact CD1-CB 4.32Å; D589-C709 VanDerWaalsContact CB-SG 3.57Å; N705-C709 WeakPolarHBondContact O-CB 3.45Å; N705-C709 PolarHBondContact O-N 2.95Å; N705-C709 PolarHBondContact O-SG 2.98Å; I706-C709 PolarHBondContact O-N 2.95Å; S707-C709 PolarHBondContact O-N 3.37Å; C709-A711 VanDerWaalsContact C-N 3.26Å; C709-A711 PolarHBondContact O-N 2.98Å; C709-S712 WeakPolarHBondContact O-CB 3.41Å; C709-S712 PolarHBondContact O-N 3.36Å; C709-S712 PolarHBondContact O-OG 3.47Å
710L75.8Confident76.3Confident1 Ų148.3 Ų48.31%0.00529%0.286CS..Hα-helixtrans-65.3-30-179.4-65.1177.9000112.7W524 Y573 L574 I577 I706 S707 S712 L713W524-L710 HydrophobicContact CD2-CB 4.19Å; W524-L710 HydrophobicContact CD2-CD1 3.64Å; W524-L710 HydrophobicContact CE3-CD1 3.67Å; W524-L710 HydrophobicContact CG-CB 4.05Å; W524-L710 HydrophobicContact CG-CD1 4.1Å; W524-L710 HydrophobicContact CH2-CD1 4.28Å; W524-L710 HydrophobicContact CZ2-CD1 4.29Å; W524-L710 HydrophobicContact CZ3-CD1 3.98Å; Y573-L710 VanDerWaalsContact CB-CD2 3.48Å; Y573-L710 HydrophobicContact CG-CD2 4.35Å; L574-L710 HydrophobicContact CD2-CD2 4.09Å; L574-L710 HydrophobicContact CD2-CG 4.35Å; L574-L710 HydrophobicContact CG-CD2 4.36Å; I577-L710 HydrophobicContact CD1-CD2 3.87Å; I706-L710 HydrophobicContact CG2-CD1 3.62Å; I706-L710 HydrophobicContact CG2-CG 4.21Å; I706-L710 WeakPolarHBondContact O-CB 3.33Å; I706-L710 VanDerWaalsContact O-CG 3.28Å; I706-L710 WeakPolarHBondContact O-CG 3.4Å; I706-L710 PolarHBondContact O-N 3.47Å; S707-L710 PolarHBondContact O-N 3.21Å; L710-S712 PolarHBondContact O-N 2.92Å; L710-L713 HydrophobicContact CD2-CD1 4.27Å; L710-L713 WeakPolarHBondContact O-CB 3.38Å; L710-L713 PolarHBondContact O-N 3.4Å; L710-L713 VanDerWaalsContact O-N 3.15Å
711A72.7Confident75.8Confident33 Ų3348.1 Ų48.127%0.27329%0.289SS..Hα-helixtrans-64.5-19.6172.700000112.6S707 I708 C709 L713 Q714S707-A711 VanDerWaalsContact O-CB 3.23Å; S707-A711 WeakPolarHBondContact O-CB 3.3Å; S707-A711 PolarHBondContact O-N 3.44Å; I708-A711 PolarHBondContact O-N 3.27Å; C709-A711 VanDerWaalsContact C-N 3.26Å; C709-A711 PolarHBondContact O-N 2.98Å; A711-L713 PolarHBondContact O-N 3.35Å; A711-Q714 WeakPolarHBondContact O-CB 3.32Å; A711-Q714 WeakPolarHBondContact O-CG 3.5Å; A711-Q714 PolarHBondContact O-N 3.26Å; A711-Q714 PolarHBondContact O-OE1 2.85Å
712S70.2Confident75.1Confident22 Ų2244.6 Ų44.615%0.15427%0.273CS..G310 helixtrans-72.5-16.2174.5870000113.7I577 L586 C709 L710 Q714 S715I577-S712 WeakPolarHBondContact CG2-OG 3.49Å; L586-S712 WeakPolarHBondContact CD2-OG 3.31Å; C709-S712 WeakPolarHBondContact O-CB 3.41Å; C709-S712 PolarHBondContact O-N 3.36Å; C709-S712 PolarHBondContact O-OG 3.47Å; L710-S712 PolarHBondContact O-N 2.92Å; S712-Q714 PolarHBondContact O-N 3.4Å; S712-S715 PolarHBondContact O-N 3.48Å; S712-S715 PolarHBondContact O-OG 3.44Å
713L62.7Low74.1Confident47 Ų4746.3 Ų46.325%0.24629%0.287CS..G310 helixtrans-65.6-10.7169.1-71.1160.5000111.8Y573 I577 L710 A711Y573-L713 HydrophobicContact CD1-CD1 3.86Å; Y573-L713 HydrophobicContact CG-CD1 4.25Å; I577-L713 HydrophobicContact CD1-CD1 3.73Å; I577-L713 HydrophobicContact CD1-CD2 4.44Å; I577-L713 HydrophobicContact CD1-CG 3.76Å; I577-L713 HydrophobicContact CG1-CD1 4.01Å; I577-L713 HydrophobicContact CG1-CD2 3.78Å; I577-L713 HydrophobicContact CG1-CG 3.58Å; L710-L713 HydrophobicContact CD2-CD1 4.27Å; L710-L713 WeakPolarHBondContact O-CB 3.38Å; L710-L713 PolarHBondContact O-N 3.4Å; L710-L713 VanDerWaalsContact O-N 3.15Å; A711-L713 PolarHBondContact O-N 3.35Å
714Q55.2Low73.3Confident68 Ų6846.7 Ų46.732%0.31829%0.286SS..G310 helixtrans-80.5-32.8-179.6-54175.1-1300112.6R520 A711 S712R520-Q714 HydrophobicContact CB-CG 4.16Å; R520-Q714 HydrophobicContact CG-CB 3.87Å; R520-Q714 HydrophobicContact CG-CG 3.81Å; R520-Q714 PolarHBondContact O-NE2 3.37Å; A711-Q714 WeakPolarHBondContact O-CB 3.32Å; A711-Q714 WeakPolarHBondContact O-CG 3.5Å; A711-Q714 PolarHBondContact O-N 3.26Å; A711-Q714 PolarHBondContact O-OE1 2.85Å; S712-Q714 PolarHBondContact O-N 3.4Å
715S44.1Very low72.4Confident153 Ų15345 Ų45100%1.0727%0.271SS*.  trans-84.70175.961.80000111.6S712S712-S715 PolarHBondContact O-N 3.48Å; S712-S715 PolarHBondContact O-OG 3.44Å

Retrieved 715 of 715 residues in 877.9 ms (Link to these results)

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